diff --git a/doc/html/Manual.html b/doc/html/Manual.html
index 3e5e1a74a91cdf8419742b8127f19ace93590a6d..f4bba8643716c008d1eef6a24695393e65f6f41b 100644
--- a/doc/html/Manual.html
+++ b/doc/html/Manual.html
@@ -72,7 +72,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -87,6 +88,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -181,7 +194,10 @@ all at Sandia. The <strong>LAMMPS home page</strong> at
<a class="reference external" href="http://lammps.sandia.gov">http://lammps.sandia.gov</a> has more information
about the code and its uses. Interaction with external LAMMPS developers,
bug reports and feature requests are mainly coordinated through the
-<a class="reference external" href="https://github.com/lammps/lammps">LAMMPS project on GitHub.</a></p>
+<a class="reference external" href="https://github.com/lammps/lammps">LAMMPS project on GitHub.</a>
+The lammps.org domain, currently hosting <a class="reference external" href="https://ci.lammps.org/job/lammps/">public continuous integration testing</a> and <a class="reference external" href="http://rpm.lammps.org">precompiled Linux RPM and Windows installer packages</a> is located
+at Temple University and managed by Richard Berger,
+richard.berger at temple.edu.</p>
<hr class="docutils" />
<p>The LAMMPS documentation is organized into the following sections. If
you find errors or omissions in this manual or have suggestions for
@@ -191,7 +207,8 @@ we can improve the LAMMPS documentation.</p>
it gives quick access to documentation for all LAMMPS commands.</p>
<p><a class="reference external" href="Manual.pdf">PDF file</a> of the entire manual, generated by
<a class="reference external" href="http://freecode.com/projects/htmldoc">htmldoc</a></p>
-<div class="toctree-wrapper compound">
+<div class="toctree-wrapper compound" id="userdoc">
+<p class="caption"><span class="caption-text">User Documentation</span></p>
<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a><ul>
<li class="toctree-l2"><a class="reference internal" href="Section_intro.html#what-is-lammps">1.1. What is LAMMPS</a></li>
@@ -355,6 +372,8 @@ it gives quick access to documentation for all LAMMPS commands.</p>
</li>
</ul>
</div>
+<div class="toctree-wrapper compound" id="index">
+</div>
</div>
</div>
<div class="section" id="indices-and-tables">
diff --git a/doc/html/Section_accelerate.html b/doc/html/Section_accelerate.html
index db8d8af4bd32dec90991b7dd41b9a981926b3fe1..5e95626343db2254a5ea9e0bfbc1137d6d153064 100644
--- a/doc/html/Section_accelerate.html
+++ b/doc/html/Section_accelerate.html
@@ -33,7 +33,7 @@
<link rel="top" title="LAMMPS documentation" href="index.html"/>
- <link rel="next" title="6. How-to discussions" href="Section_howto.html"/>
+ <link rel="next" title="5.3.1. GPU package" href="accelerate_gpu.html"/>
<link rel="prev" title="4. Packages" href="Section_packages.html"/>
@@ -73,7 +73,8 @@
- <ul class="current">
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -81,7 +82,14 @@
<li class="toctree-l1 current"><a class="current reference internal" href="#">5. Accelerating LAMMPS performance</a><ul>
<li class="toctree-l2"><a class="reference internal" href="#measuring-performance">5.1. Measuring performance</a></li>
<li class="toctree-l2"><a class="reference internal" href="#general-strategies">5.2. General strategies</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#packages-with-optimized-styles">5.3. Packages with optimized styles</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#packages-with-optimized-styles">5.3. Packages with optimized styles</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_gpu.html">5.3.1. GPU package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_intel.html">5.3.2. USER-INTEL package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_kokkos.html">5.3.3. KOKKOS package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_omp.html">5.3.4. USER-OMP package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_opt.html">5.3.5. OPT package</a></li>
+</ul>
+</li>
<li class="toctree-l2"><a class="reference internal" href="#comparison-of-various-accelerator-packages">5.4. Comparison of various accelerator packages</a></li>
</ul>
</li>
@@ -94,6 +102,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -130,7 +150,7 @@
<div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
- <a href="Section_howto.html" class="btn btn-neutral float-right" title="6. How-to discussions" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+ <a href="accelerate_gpu.html" class="btn btn-neutral float-right" title="5.3.1. GPU package" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
<a href="Section_packages.html" class="btn btn-neutral" title="4. Packages" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
@@ -276,27 +296,29 @@ overview of packages is give in <a class="reference internal" href="Section_pack
currently in LAMMPS, either as standard or user packages:</p>
<table border="1" class="docutils">
<colgroup>
-<col width="44%" />
-<col width="56%" />
+<col width="46%" />
+<col width="54%" />
</colgroup>
<tbody valign="top">
-<tr class="row-odd"><td><a class="reference internal" href="accelerate_gpu.html"><span class="doc">GPU</span></a></td>
+<tr class="row-odd"><td><a class="reference internal" href="accelerate_gpu.html"><span class="doc">GPU Package</span></a></td>
<td>for NVIDIA GPUs as well as OpenCL support</td>
</tr>
-<tr class="row-even"><td><a class="reference internal" href="accelerate_intel.html"><span class="doc">USER-INTEL</span></a></td>
+<tr class="row-even"><td><a class="reference internal" href="accelerate_intel.html"><span class="doc">USER-INTEL Package</span></a></td>
<td>for Intel CPUs and Intel Xeon Phi</td>
</tr>
-<tr class="row-odd"><td><a class="reference internal" href="accelerate_kokkos.html"><span class="doc">KOKKOS</span></a></td>
-<td>for GPUs, Intel Xeon Phi, and OpenMP threading</td>
+<tr class="row-odd"><td><a class="reference internal" href="accelerate_kokkos.html"><span class="doc">KOKKOS Package</span></a></td>
+<td>for Nvidia GPUs, Intel Xeon Phi, and OpenMP threading</td>
</tr>
-<tr class="row-even"><td><a class="reference internal" href="accelerate_omp.html"><span class="doc">USER-OMP</span></a></td>
-<td>for OpenMP threading</td>
+<tr class="row-even"><td><a class="reference internal" href="accelerate_omp.html"><span class="doc">USER-OMP Package</span></a></td>
+<td>for OpenMP threading and generic CPU optimizations</td>
</tr>
-<tr class="row-odd"><td><a class="reference internal" href="accelerate_opt.html"><span class="doc">OPT</span></a></td>
+<tr class="row-odd"><td><a class="reference internal" href="accelerate_opt.html"><span class="doc">OPT Package</span></a></td>
<td>generic CPU optimizations</td>
</tr>
</tbody>
</table>
+<div class="toctree-wrapper compound">
+</div>
<p>Inverting this list, LAMMPS currently has acceleration support for
three kinds of hardware, via the listed packages:</p>
<table border="1" class="docutils">
@@ -336,7 +358,7 @@ Lennard-Jones <a class="reference internal" href="pair_lj.html"><span class="doc
<li><a class="reference internal" href="pair_lj.html"><span class="doc">pair_style lj/cut/opt</span></a></li>
</ul>
<p>To see what accelerate styles are currently available, see
-<a class="reference internal" href="Section_commands.html#cmd-5"><span class="std std-ref">Section_commands 5</span></a> of the manual. The
+<a class="reference internal" href="Section_commands.html#cmd-5"><span class="std std-ref">Section 3.5</span></a> of the manual. The
doc pages for individual commands (e.g. <a class="reference internal" href="pair_lj.html"><span class="doc">pair lj/cut</span></a> or
<a class="reference internal" href="fix_nve.html"><span class="doc">fix nve</span></a>) also list any accelerated variants available
for that style.</p>
@@ -524,7 +546,7 @@ exclusion lists, hybrid pair styles, or a triclinic simulation box.</li>
<div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
- <a href="Section_howto.html" class="btn btn-neutral float-right" title="6. How-to discussions" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+ <a href="accelerate_gpu.html" class="btn btn-neutral float-right" title="5.3.1. GPU package" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
<a href="Section_packages.html" class="btn btn-neutral" title="4. Packages" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
diff --git a/doc/html/Section_commands.html b/doc/html/Section_commands.html
index 69c6609b6cab45d6e3ecc377dee5bbd69cd03623..46d36a2f80c4e4b66aee8e8d6626fdf5778b1307 100644
--- a/doc/html/Section_commands.html
+++ b/doc/html/Section_commands.html
@@ -73,7 +73,8 @@
- <ul class="current">
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1 current"><a class="current reference internal" href="#">3. Commands</a><ul>
@@ -103,6 +104,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -318,7 +331,7 @@ allowed, but that should be sufficient for most use cases.</p>
<p>This section describes the structure of a typical LAMMPS input script.
The “examples” directory in the LAMMPS distribution contains many
sample input scripts; the corresponding problems are discussed in
-<a class="reference internal" href="Section_example.html"><span class="doc">Section_example</span></a>, and animated on the <a class="reference external" href="http://lammps.sandia.gov">LAMMPS WWW Site</a>.</p>
+<a class="reference internal" href="Section_example.html"><span class="doc">Section 7</span></a>, and animated on the <a class="reference external" href="http://lammps.sandia.gov">LAMMPS WWW Site</a>.</p>
<p>A LAMMPS input script typically has 4 parts:</p>
<ol class="arabic simple">
<li>Initialization</li>
@@ -778,12 +791,12 @@ USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.</p>
<a class="reference internal" href="Section_start.html#start-3"><span class="std std-ref">LAMMPS is built with the appropriate package</span></a>.</p>
<table border="1" class="docutils">
<colgroup>
-<col width="14%" />
-<col width="22%" />
-<col width="15%" />
-<col width="15%" />
<col width="15%" />
-<col width="20%" />
+<col width="16%" />
+<col width="16%" />
+<col width="16%" />
+<col width="16%" />
+<col width="22%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="fix_adapt_fep.html"><span class="doc">adapt/fep</span></a></td>
@@ -843,18 +856,11 @@ USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.</p>
<td><a class="reference internal" href="fix_smd_move_triangulated_surface.html"><span class="doc">smd/move/triangulated/surface</span></a></td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="fix_smd_setvel.html"><span class="doc">smd/setvel</span></a></td>
-<td><a class="reference internal" href="fix_smd_tlsph_reference_configuration.html"><span class="doc">smd/tlsph/reference/configuration</span></a></td>
<td><a class="reference internal" href="fix_smd_wall_surface.html"><span class="doc">smd/wall/surface</span></a></td>
<td><a class="reference internal" href="fix_temp_rescale_eff.html"><span class="doc">temp/rescale/eff</span></a></td>
<td><a class="reference internal" href="fix_ti_rs.html"><span class="doc">ti/rs</span></a></td>
<td><a class="reference internal" href="fix_ti_spring.html"><span class="doc">ti/spring</span></a></td>
-</tr>
-<tr class="row-even"><td><a class="reference internal" href="fix_ttm.html"><span class="doc">ttm/mod</span></a></td>
-<td> </td>
-<td> </td>
-<td> </td>
-<td> </td>
-<td> </td>
+<td><a class="reference internal" href="fix_ttm.html"><span class="doc">ttm/mod</span></a></td>
</tr>
</tbody>
</table>
diff --git a/doc/html/Section_errors.html b/doc/html/Section_errors.html
index 680f6140be29dc848045ddc69201342446d1e643..4d9117835aa15fd59704203480cb9045b8295094 100644
--- a/doc/html/Section_errors.html
+++ b/doc/html/Section_errors.html
@@ -73,7 +73,8 @@
- <ul class="current">
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -95,6 +96,18 @@
</li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -6491,7 +6504,7 @@ per timestep.</dd>
<dd>If there are other fixes that act immediately after the intitial stage
of time integration within a timestep (i.e. after atoms move), then
the command that sets up the dynamic group should appear after those
-fixes. This will insure that dynamic group assignements are made
+fixes. This will insure that dynamic group assignments are made
after all atoms have moved.</dd>
<dt><em>One or more respa levels compute no forces</em></dt>
<dd>This is computationally inefficient.</dd>
diff --git a/doc/html/Section_example.html b/doc/html/Section_example.html
index 9c2e1a0c72da7d752bd5b5e9ce5fbf20842bbcac..ba1649a09d9e24e32c67eccc71bd071d84d08163 100644
--- a/doc/html/Section_example.html
+++ b/doc/html/Section_example.html
@@ -73,7 +73,8 @@
- <ul class="current">
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -92,6 +93,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
diff --git a/doc/html/Section_history.html b/doc/html/Section_history.html
index 19d35eb60ac3dad5c5a131b7a6fcd8076d49b984..f82025aae0e582d2f19653b65dee4c9ee6d10882 100644
--- a/doc/html/Section_history.html
+++ b/doc/html/Section_history.html
@@ -33,6 +33,7 @@
<link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="next" title="Tutorials" href="tutorials.html"/>
<link rel="prev" title="12. Errors" href="Section_errors.html"/>
@@ -72,7 +73,8 @@
- <ul class="current">
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -91,6 +93,18 @@
</ul>
</li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -127,6 +141,8 @@
<div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+ <a href="tutorials.html" class="btn btn-neutral float-right" title="Tutorials" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
<a href="Section_errors.html" class="btn btn-neutral" title="12. Errors" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
@@ -148,13 +164,24 @@ dynamics codes our group has distributed.</p>
</div>
<div class="section" id="coming-attractions">
<span id="hist-1"></span><h2>13.1. Coming attractions</h2>
-<p>The <a class="reference external" href="http://lammps.sandia.gov/future.html">Wish list link</a> on the
-LAMMPS WWW page gives a list of features we are hoping to add to
-LAMMPS in the future, including contact names of individuals you can
-email if you are interested in contributing to the developement or
-would be a future user of that feature.</p>
-<p>You can also send <a class="reference external" href="http://lammps.sandia.gov/authors.html">email to the developers</a> if you want to add
-your wish to the list.</p>
+<p>As of summer 2016 we are using the <a class="reference external" href="https://github.com/lammps/lammps/issues">LAMMPS project issue tracker on GitHub</a> for keeping
+track of suggested, planned or pending new features. This includes
+discussions of how to best implement them, or why they would be
+useful. Especially if a planned or proposed feature is non-trivial
+to add, e.g. because it requires changes to some of the core
+classes of LAMMPS, people planning to contribute a new feature to
+LAMMS are encouraged to submit an issue about their planned
+implementation this way in order to receive feedback from the
+LAMMPS core developers. They will provide suggestions about
+the validity of the proposed approach and possible improvements,
+pitfalls or alternatives.</p>
+<p>Please see some of the closed issues for examples of how to
+suggest code enhancements, submit proposed changes, or report
+elated issues and how they are resoved.</p>
+<p>As an alternative to using GitHub, you may e-mail the
+<a class="reference external" href="http://lammps.sandia.gov/authors.html">core developers</a> or send
+an e-mail to the <a class="reference external" href="http://lammps.sandia.gov/mail.html">LAMMPS Mail list</a>
+if you want to have your suggestion added to the list.</p>
<hr class="docutils" />
</div>
<div class="section" id="past-versions">
@@ -248,6 +275,8 @@ internally. A brief listing of their features is given here.</p>
<div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+ <a href="tutorials.html" class="btn btn-neutral float-right" title="Tutorials" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
<a href="Section_errors.html" class="btn btn-neutral" title="12. Errors" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
diff --git a/doc/html/Section_howto.html b/doc/html/Section_howto.html
index feb6e5e5c9c9b378ea2534daf96a9adaf4e78218..2684ee85934054b2183b7e056c7ad0831bea51ee 100644
--- a/doc/html/Section_howto.html
+++ b/doc/html/Section_howto.html
@@ -34,7 +34,7 @@
<link rel="top" title="LAMMPS documentation" href="index.html"/>
<link rel="next" title="7. Example problems" href="Section_example.html"/>
- <link rel="prev" title="5. Accelerating LAMMPS performance" href="Section_accelerate.html"/>
+ <link rel="prev" title="5.3.5. OPT package" href="accelerate_opt.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -73,7 +73,8 @@
- <ul class="current">
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -143,6 +144,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -182,7 +195,7 @@
<a href="Section_example.html" class="btn btn-neutral float-right" title="7. Example problems" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
- <a href="Section_accelerate.html" class="btn btn-neutral" title="5. Accelerating LAMMPS performance" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+ <a href="accelerate_opt.html" class="btn btn-neutral" title="5.3.5. OPT package" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
</div>
@@ -224,7 +237,7 @@
<div class="line"><br /></div>
</div>
<p>The example input scripts included in the LAMMPS distribution and
-highlighted in <a class="reference internal" href="Section_example.html"><span class="doc">Section_example</span></a> also show how to
+highlighted in <a class="reference internal" href="Section_example.html"><span class="doc">Section 7</span></a> also show how to
setup and run various kinds of simulations.</p>
<div class="section" id="restarting-a-simulation">
<span id="howto-1"></span><h2>6.1. Restarting a simulation</h2>
@@ -360,7 +373,7 @@ used in the CHARMM, AMBER, and DREIDING force fields. Setting
coefficients is done in the input data file via the
<a class="reference internal" href="read_data.html"><span class="doc">read_data</span></a> command or in the input script with
commands like <a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a> or
-<a class="reference internal" href="bond_coeff.html"><span class="doc">bond_coeff</span></a>. See <a class="reference internal" href="Section_tools.html"><span class="doc">Section_tools</span></a>
+<a class="reference internal" href="bond_coeff.html"><span class="doc">bond_coeff</span></a>. See <a class="reference internal" href="Section_tools.html"><span class="doc">Section 9</span></a>
for additional tools that can use CHARMM or AMBER to assign force
field coefficients and convert their output into LAMMPS input.</p>
<p>See <a class="reference internal" href="#howto-mackerell"><span class="std std-ref">(MacKerell)</span></a> for a description of the CHARMM force
@@ -805,7 +818,7 @@ made by the command (assuming your parallel machine allows one or more
processors to start up another program). In the latter case the
stand-alone code could communicate with LAMMPS thru files that the
command writes and reads.</p>
-<p>See <a class="reference internal" href="Section_modify.html"><span class="doc">Section_modify</span></a> of the documentation for how
+<p>See <a class="reference internal" href="Section_modify.html"><span class="doc">Section 10</span></a> of the documentation for how
to add a new command to LAMMPS.</p>
<p>(3) Use LAMMPS as a library called by another code. In this case the
other code is the driver and calls LAMMPS as needed. Or a wrapper
@@ -833,11 +846,11 @@ example, from C++ you could create one (or more) “instances” of
LAMMPS, pass it an input script to process, or execute individual
commands, all by invoking the correct class methods in LAMMPS. From C
or Fortran you can make function calls to do the same things. See
-<a class="reference internal" href="Section_python.html"><span class="doc">Section_python</span></a> of the manual for a description
+<a class="reference internal" href="Section_python.html"><span class="doc">Section 11</span></a> of the manual for a description
of the Python wrapper provided with LAMMPS that operates through the
LAMMPS library interface.</p>
<p>The files src/library.cpp and library.h contain the C-style interface
-to LAMMPS. See <a class="reference internal" href="#howto-19"><span class="std std-ref">Section_howto 19</span></a> of the
+to LAMMPS. See <a class="reference internal" href="#howto-19"><span class="std std-ref">Section 6.19</span></a> of the
manual for a description of the interface and how to extend it for
your needs.</p>
<p>Note that the lammps_open() function that creates an instance of
@@ -865,7 +878,7 @@ systems, and can be useful for rapid debugging of simulation geometry
and atom trajectories.</p>
<p>Several programs included with LAMMPS as auxiliary tools can convert
native LAMMPS dump files to other formats. See the
-<a class="reference internal" href="Section_tools.html"><span class="doc">Section_tools</span></a> doc page for details. The first is
+<a class="reference internal" href="Section_tools.html"><span class="doc">Section 9</span></a> doc page for details. The first is
the <a class="reference internal" href="Section_tools.html#charmm"><span class="std std-ref">ch2lmp tool</span></a>, which contains a
lammps2pdb Perl script which converts LAMMPS dump files into PDB
files. The second is the <a class="reference internal" href="Section_tools.html#arc"><span class="std std-ref">lmp2arc tool</span></a> which
@@ -1898,7 +1911,7 @@ converge and requires careful post-processing <a class="reference internal" href
</div>
<div class="section" id="library-interface-to-lammps">
<span id="howto-19"></span><h2>6.19. Library interface to LAMMPS</h2>
-<p>As described in <a class="reference internal" href="Section_start.html#start-5"><span class="std std-ref">Section_start 5</span></a>, LAMMPS
+<p>As described in <a class="reference internal" href="Section_start.html#start-5"><span class="std std-ref">Section 2.5</span></a>, LAMMPS
can be built as a library, so that it can be called by another code,
used in a <a class="reference internal" href="#howto-10"><span class="std std-ref">coupled manner</span></a> with other
codes, or driven through a <a class="reference internal" href="Section_python.html"><span class="doc">Python interface</span></a>.</p>
@@ -2254,7 +2267,7 @@ ID), or dynamic (e.g. what spatial bin an atom is in as it moves).</p>
<a class="reference internal" href="variable.html"><span class="doc">variables</span></a> to be used to define chunk IDs for each
atom. This means you can write your own compute or fix to output a
per-atom quantity to use as chunk ID. See
-<a class="reference internal" href="Section_modify.html"><span class="doc">Section_modify</span></a> of the documentation for how to
+<a class="reference internal" href="Section_modify.html"><span class="doc">Section 10</span></a> of the documentation for how to
do this. You can also define a <a class="reference internal" href="variable.html"><span class="doc">per-atom variable</span></a> in
the input script that uses a formula to generate a chunk ID for each
atom.</p>
@@ -2812,7 +2825,7 @@ Phys, 79, 926 (1983).</p>
<a href="Section_example.html" class="btn btn-neutral float-right" title="7. Example problems" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
- <a href="Section_accelerate.html" class="btn btn-neutral" title="5. Accelerating LAMMPS performance" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+ <a href="accelerate_opt.html" class="btn btn-neutral" title="5.3.5. OPT package" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
</div>
diff --git a/doc/html/Section_intro.html b/doc/html/Section_intro.html
index 3f41a6b1569b1f4a657f2a1d1d720cfa18b99d8d..97b2284384f1c34c8bc20bffdead9791071dbc82 100644
--- a/doc/html/Section_intro.html
+++ b/doc/html/Section_intro.html
@@ -73,7 +73,8 @@
- <ul class="current">
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1 current"><a class="current reference internal" href="#">1. Introduction</a><ul>
<li class="toctree-l2"><a class="reference internal" href="#what-is-lammps">1.1. What is LAMMPS</a></li>
<li class="toctree-l2"><a class="reference internal" href="#lammps-features">1.2. LAMMPS features</a><ul>
@@ -108,6 +109,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -183,7 +196,7 @@ parallel machine that compiles C++ and supports the <a class="reference external
message-passing library. This includes distributed- or shared-memory
parallel machines and Beowulf-style clusters.</p>
<p>LAMMPS can model systems with only a few particles up to millions or
-billions. See <a class="reference internal" href="Section_perf.html"><span class="doc">Section_perf</span></a> for information on
+billions. See <a class="reference internal" href="Section_perf.html"><span class="doc">Section 8</span></a> for information on
LAMMPS performance and scalability, or the Benchmarks section of the
<a class="reference external" href="http://lammps.sandia.gov">LAMMPS WWW Site</a>.</p>
<p>LAMMPS is a freely-available open-source code, distributed under the
@@ -192,11 +205,11 @@ modify the code however you wish. See <a class="reference internal" href="#intr
brief discussion of the open-source philosophy.</p>
<p>LAMMPS is designed to be easy to modify or extend with new
capabilities, such as new force fields, atom types, boundary
-conditions, or diagnostics. See <a class="reference internal" href="Section_modify.html"><span class="doc">Section_modify</span></a>
+conditions, or diagnostics. See <a class="reference internal" href="Section_modify.html"><span class="doc">Section 10</span></a>
for more details.</p>
<p>The current version of LAMMPS is written in C++. Earlier versions
were written in F77 and F90. See
-<a class="reference internal" href="Section_history.html"><span class="doc">Section_history</span></a> for more information on
+<a class="reference internal" href="Section_history.html"><span class="doc">Section 13</span></a> for more information on
different versions. All versions can be downloaded from the <a class="reference external" href="http://lammps.sandia.gov">LAMMPS WWW Site</a>.</p>
<p>LAMMPS was originally developed under a US Department of Energy CRADA
(Cooperative Research and Development Agreement) between two DOE labs
@@ -225,7 +238,7 @@ LAMMPS are listed in <a class="reference internal" href="#intro-5"><span class="
<p>This section highlights LAMMPS features, with pointers to specific
commands which give more details. If LAMMPS doesn’t have your
favorite interatomic potential, boundary condition, or atom type, see
-<a class="reference internal" href="Section_modify.html"><span class="doc">Section_modify</span></a>, which describes how you can add
+<a class="reference internal" href="Section_modify.html"><span class="doc">Section 10</span></a>, which describes how you can add
it to LAMMPS.</p>
<div class="section" id="general-features">
<h3>1.2.1. General features</h3>
@@ -452,7 +465,7 @@ reformat the file as LAMMPS input. Some of the tools in <a class="reference int
post-process these files with their own analysis tools or re-format
them for input into other programs, including visualization packages.
If you are convinced you need to compute something on-the-fly as
-LAMMPS runs, see <a class="reference internal" href="Section_modify.html"><span class="doc">Section_modify</span></a> for a discussion
+LAMMPS runs, see <a class="reference internal" href="Section_modify.html"><span class="doc">Section 10</span></a> for a discussion
of how you can use the <a class="reference internal" href="dump.html"><span class="doc">dump</span></a> and <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> and
<a class="reference internal" href="fix.html"><span class="doc">fix</span></a> commands to print out data of your choosing. Keep in
mind that complicated computations can slow down the molecular
@@ -467,12 +480,12 @@ following packages:</p>
<ul class="simple">
<li><a class="reference external" href="http://www.ks.uiuc.edu/Research/vmd">VMD</a></li>
<li><a class="reference external" href="http://mt.seas.upenn.edu/Archive/Graphics/A">AtomEye</a></li>
-<li><a class="reference external" href="http://pymol.sourceforge.net">PyMol</a></li>
+<li><a class="reference external" href="http://www.pymol.org">PyMol</a></li>
<li><a class="reference external" href="http://www.bmsc.washington.edu/raster3d/raster3d.html">Raster3d</a></li>
<li><a class="reference external" href="http://www.openrasmol.org">RasMol</a></li>
</ul>
<p>Other features that LAMMPS does not yet (and may never) support are
-discussed in <a class="reference internal" href="Section_history.html"><span class="doc">Section_history</span></a>.</p>
+discussed in <a class="reference internal" href="Section_history.html"><span class="doc">Section 13</span></a>.</p>
<p>Finally, these are freely-available molecular dynamics codes, most of
them parallel, which may be well-suited to the problems you want to
model. They can also be used in conjunction with LAMMPS to perform
@@ -526,7 +539,7 @@ talks or link to it from your WWW site.</li>
<li>If you find an error or omission in this manual or on the <a class="reference external" href="http://lammps.sandia.gov">LAMMPS WWW Site</a>, or have a suggestion for something to clarify or include,
send an email to the
<a class="reference external" href="http://lammps.sandia.gov/authors.html">developers</a>.</li>
-<li>If you find a bug, <a class="reference internal" href="Section_errors.html#err-2"><span class="std std-ref">Section_errors 2</span></a>
+<li>If you find a bug, <a class="reference internal" href="Section_errors.html#err-2"><span class="std std-ref">Section 12.2</span></a>
describes how to report it.</li>
<li>If you publish a paper using LAMMPS results, send the citation (and
any cool pictures or movies if you like) to add to the Publications,
@@ -536,7 +549,7 @@ and attributions back to you.</li>
directory.</li>
<li>The tools sub-directory of the LAMMPS distribution has various
stand-alone codes for pre- and post-processing of LAMMPS data. More
-details are given in <a class="reference internal" href="Section_tools.html"><span class="doc">Section_tools</span></a>. If you write
+details are given in <a class="reference internal" href="Section_tools.html"><span class="doc">Section 9</span></a>. If you write
a new tool that users will find useful, it can be added to the LAMMPS
distribution.</li>
<li>LAMMPS is designed to be easy to extend with new code for features
@@ -608,7 +621,7 @@ and efforts.</p>
<li>Metin Aktulga (LBL), hmaktulga at lbl.gov, USER-REAXC package for C version of ReaxFF</li>
<li>Georg Gunzenmuller (EMI), georg.ganzenmueller at emi.fhg.de, USER-SPH package</li>
</ul>
-<p>As discussed in <a class="reference internal" href="Section_history.html"><span class="doc">Section_history</span></a>, LAMMPS
+<p>As discussed in <a class="reference internal" href="Section_history.html"><span class="doc">Section 13</span></a>, LAMMPS
originated as a cooperative project between DOE labs and industrial
partners. Folks involved in the design and testing of the original
version of LAMMPS were the following:</p>
diff --git a/doc/html/Section_modify.html b/doc/html/Section_modify.html
index b760c3c0024f738defec063450d8ee06346ef2ea..d3389a3f28d122424265e5c5ac328978d96721a4 100644
--- a/doc/html/Section_modify.html
+++ b/doc/html/Section_modify.html
@@ -73,7 +73,8 @@
- <ul class="current">
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -105,6 +106,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -955,7 +968,7 @@ class. See region.h for details.</p>
Body particles can represent complex entities, such as surface meshes
of discrete points, collections of sub-particles, deformable objects,
etc.</p>
-<p>See <a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section_howto 14</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section 6.14</span></a> of the manual for
an overview of using body particles and the <a class="reference internal" href="body.html"><span class="doc">body</span></a> doc page
for details on the various body styles LAMMPS supports. New styles
can be created to add new kinds of body particles to LAMMPS.</p>
diff --git a/doc/html/Section_packages.html b/doc/html/Section_packages.html
index 2565c51206f77b76028bb2e1889c1f70a84f1a9c..d95e77ffe5eb713533845fdcf2da9166395c868f 100644
--- a/doc/html/Section_packages.html
+++ b/doc/html/Section_packages.html
@@ -73,7 +73,8 @@
- <ul class="current">
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -153,6 +154,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -215,7 +228,7 @@ packages.</p>
<div class="line">4.2 <a class="reference internal" href="#pkg-2"><span class="std std-ref">User packages</span></a></div>
<div class="line"><br /></div>
</div>
-<p><a class="reference internal" href="Section_start.html#start-3"><span class="std std-ref">Section_start 3</span></a> of the manual describes
+<p><a class="reference internal" href="Section_start.html#start-3"><span class="std std-ref">Section 2.3</span></a> of the manual describes
the difference between standard packages and user packages. It also
has general details on how to include/exclude specific packages as
part of the LAMMPS build process, and on how to build auxiliary
@@ -275,7 +288,7 @@ name links to a sub-section below with more details.</p>
<li></li>
</ul>
</td>
-<td><a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section_howto 6.14</span></a></td>
+<td><a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section 6.6.14</span></a></td>
<td>ellipse</td>
<td><ul class="first last simple">
<li></li>
@@ -337,7 +350,7 @@ name links to a sub-section below with more details.</p>
<tr class="row-odd"><td><a class="reference internal" href="#coreshell"><span class="std std-ref">CORESHELL</span></a></td>
<td>adiabatic core/shell model</td>
<td>Hendrik Heenen (Technical U of Munich)</td>
-<td><a class="reference internal" href="Section_howto.html#howto-25"><span class="std std-ref">Section_howto 6.25</span></a></td>
+<td><a class="reference internal" href="Section_howto.html#howto-25"><span class="std std-ref">Section 6.6.25</span></a></td>
<td>coreshell</td>
<td><ul class="first last simple">
<li></li>
@@ -370,7 +383,7 @@ name links to a sub-section below with more details.</p>
<li></li>
</ul>
</td>
-<td><a class="reference internal" href="Section_howto.html#howto-6"><span class="std std-ref">Section_howto 6.6</span></a></td>
+<td><a class="reference internal" href="Section_howto.html#howto-6"><span class="std std-ref">Section 6.6.6</span></a></td>
<td>pour</td>
<td><ul class="first last simple">
<li></li>
@@ -387,7 +400,7 @@ name links to a sub-section below with more details.</p>
<tr class="row-even"><td><a class="reference internal" href="#kokkos"><span class="std std-ref">KOKKOS</span></a></td>
<td>Kokkos-enabled styles</td>
<td>Trott & Moore (4)</td>
-<td><a class="reference internal" href="accelerate_kokkos.html"><span class="doc">Section_accelerate</span></a></td>
+<td><a class="reference internal" href="accelerate_kokkos.html"><span class="doc">Section 5</span></a></td>
<td>kokkos</td>
<td>lib/kokkos</td>
</tr>
@@ -446,7 +459,7 @@ name links to a sub-section below with more details.</p>
<li></li>
</ul>
</td>
-<td><a class="reference internal" href="Section_howto.html#howto-3"><span class="std std-ref">Section_howto 6.3</span></a></td>
+<td><a class="reference internal" href="Section_howto.html#howto-3"><span class="std std-ref">Section 6.6.3</span></a></td>
<td>peptide</td>
<td><ul class="first last simple">
<li></li>
@@ -506,7 +519,7 @@ name links to a sub-section below with more details.</p>
<li></li>
</ul>
</td>
-<td><a class="reference internal" href="Section_howto.html#howto-5"><span class="std std-ref">Section_howto 6.5</span></a></td>
+<td><a class="reference internal" href="Section_howto.html#howto-5"><span class="std std-ref">Section 6.6.5</span></a></td>
<td>tad</td>
<td><ul class="first last simple">
<li></li>
@@ -598,7 +611,7 @@ and Ellad Tadmor (U Minn).</p>
Stan Moore (Sandia). It uses the Kokkos library which was developed
by Carter Edwards, Christian Trott, and others at Sandia.</p>
<p>The “Doc page” column links to either a sub-section of the
-<a class="reference internal" href="Section_howto.html"><span class="doc">Section_howto</span></a> of the manual, or an input script
+<a class="reference internal" href="Section_howto.html"><span class="doc">Section 6</span></a> of the manual, or an input script
command implemented as part of the package, or to additional
documentation provided within the package.</p>
<p>The “Example” column is a sub-directory in the examples directory of
@@ -1951,7 +1964,7 @@ Mattox (Engility), and John Brennan (ARL).</p>
<p>(6) The USER-VTK package was created by Richard Berger (JKU) and
Daniel Queteschiner (DCS Computing).</p>
<p>The “Doc page” column links to either a sub-section of the
-<a class="reference internal" href="Section_howto.html"><span class="doc">Section_howto</span></a> of the manual, or an input script
+<a class="reference internal" href="Section_howto.html"><span class="doc">Section 6</span></a> of the manual, or an input script
command implemented as part of the package, or to additional
documentation provided within the package.</p>
<p>The “Example” column is a sub-directory in the examples directory of
@@ -2144,7 +2157,7 @@ this package. Also see src/USER-INTEL/README for more details. See
the KOKKOS, OPT, and USER-OMP packages, which also have CPU and
Phi-enabled styles.</p>
<p>Supporting info: examples/accelerate, src/USER-INTEL/TEST</p>
-<p><a class="reference internal" href="Section_accelerate.html#acc-3"><span class="std std-ref">Section_accelerate</span></a></p>
+<p><a class="reference internal" href="Section_accelerate.html#acc-3"><span class="std std-ref">Section 5</span></a></p>
<p>Author: Mike Brown at Intel (michael.w.brown at intel.com). Contact
him directly if you have questions.</p>
<p>For the USER-INTEL package, you have 2 choices when building. You can
@@ -2216,7 +2229,7 @@ pair of files (*.cpp and *.h).</p>
<p>More information about each feature can be found by reading its doc
page in the LAMMPS doc directory. The doc page which lists all LAMMPS
input script commands is as follows:</p>
-<p><a class="reference internal" href="Section_commands.html#cmd-5"><span class="std std-ref">Section_commands</span></a></p>
+<p><a class="reference internal" href="Section_commands.html#cmd-5"><span class="std std-ref">Section 3</span></a></p>
<p>User-contributed features are listed at the bottom of the fix,
compute, pair, etc sections.</p>
<p>The list of features and author of each is given in the
@@ -2273,7 +2286,7 @@ application itself.</p>
other optimizations of various LAMMPS pair styles, dihedral
styles, and fix styles.</p>
<p>See this section of the manual to get started:</p>
-<p><a class="reference internal" href="Section_accelerate.html#acc-3"><span class="std std-ref">Section_accelerate</span></a></p>
+<p><a class="reference internal" href="Section_accelerate.html#acc-3"><span class="std std-ref">Section 5</span></a></p>
<p>The person who created this package is Axel Kohlmeyer at Temple U
(akohlmey at gmail.com). Contact him directly if you have questions.</p>
<p>For the USER-OMP package, your Makefile.machine needs additional
diff --git a/doc/html/Section_perf.html b/doc/html/Section_perf.html
index 963ec4afa9279e822ff8e7003ed969a874c40300..99337aaaac6fff4636e079c4d1ef365064a348ac 100644
--- a/doc/html/Section_perf.html
+++ b/doc/html/Section_perf.html
@@ -73,7 +73,8 @@
- <ul class="current">
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -88,6 +89,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
diff --git a/doc/html/Section_python.html b/doc/html/Section_python.html
index 971aeb58dcdec7c7c8a6dc5312899673ebb11a11..23ccb8c63be61a1191aa24ab1571364d95ee42c9 100644
--- a/doc/html/Section_python.html
+++ b/doc/html/Section_python.html
@@ -73,7 +73,8 @@
- <ul class="current">
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -103,6 +104,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -182,9 +195,9 @@ drive a program through its library interface, or to hook multiple
pieces of software together, such as a simulation package plus a
visualization package, or to run a coupled multiscale or multiphysics
model.</p>
-<p>See <a class="reference internal" href="Section_howto.html#howto-10"><span class="std std-ref">Section_howto 10</span></a> of the manual and
+<p>See <a class="reference internal" href="Section_howto.html#howto-10"><span class="std std-ref">Section 6.10</span></a> of the manual and
the couple directory of the distribution for more ideas about coupling
-LAMMPS to other codes. See <a class="reference internal" href="Section_howto.html#howto-19"><span class="std std-ref">Section_howto 19</span></a> for a description of the LAMMPS
+LAMMPS to other codes. See <a class="reference internal" href="Section_howto.html#howto-19"><span class="std std-ref">Section 6.19</span></a> for a description of the LAMMPS
library interface provided in src/library.cpp and src/library.h, and
how to extend it for your needs. As described below, that interface
is what is exposed to Python either when calling LAMMPS from Python or
@@ -302,7 +315,7 @@ file and the shared library.</p>
<div class="section" id="building-lammps-as-a-shared-library">
<span id="py-3"></span><h2>11.3. Building LAMMPS as a shared library</h2>
<p>Instructions on how to build LAMMPS as a shared library are given in
-<a class="reference internal" href="Section_start.html#start-5"><span class="std std-ref">Section_start 5</span></a>. A shared library is one
+<a class="reference internal" href="Section_start.html#start-5"><span class="std std-ref">Section 2.5</span></a>. A shared library is one
that is dynamically loadable, which is what Python requires to wrap
LAMMPS. On Linux this is a library file that ends in ”.so”, not ”.a”.</p>
<p>From the src directory, type</p>
@@ -321,7 +334,7 @@ most recently built version.</p>
auxiliary libraries (used by various packages), then all of these
extra libraries must also be shared libraries. If the LAMMPS
shared-library build fails with an error complaining about this, see
-<a class="reference internal" href="Section_start.html#start-5"><span class="std std-ref">Section_start 5</span></a> for more details.</p>
+<a class="reference internal" href="Section_start.html#start-5"><span class="std std-ref">Section 2.5</span></a> for more details.</p>
</div>
<hr class="docutils" />
</div>
@@ -531,7 +544,7 @@ first importing from the lammps.py file:</p>
<span class="gp">>>> </span><span class="n">CDLL</span><span class="p">(</span><span class="s2">"liblammps.so"</span><span class="p">)</span>
</pre></div>
</div>
-<p>If an error occurs, carefully go thru the steps in <a class="reference internal" href="Section_start.html#start-5"><span class="std std-ref">Section_start 5</span></a> and above about building a shared
+<p>If an error occurs, carefully go thru the steps in <a class="reference internal" href="Section_start.html#start-5"><span class="std std-ref">Section 2.5</span></a> and above about building a shared
library and about insuring Python can find the necessary two files
it needs.</p>
<div class="section" id="test-lammps-and-python-in-serial">
@@ -762,7 +775,7 @@ subscripting. The one exception is that for a fix that calculates a
global vector or array, a single double value from the vector or array
is returned, indexed by I (vector) or I and J (array). I,J are
zero-based indices. The I,J arguments can be left out if not needed.
-See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> of the manual for a
+See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> of the manual for a
discussion of global, per-atom, and local data, and of scalar, vector,
and array data types. See the doc pages for individual
<a class="reference internal" href="compute.html"><span class="doc">computes</span></a> and <a class="reference internal" href="fix.html"><span class="doc">fixes</span></a> for a description of what
diff --git a/doc/html/Section_start.html b/doc/html/Section_start.html
index b3ebfd3dca300602589df3ec66f58fcf2c366040..21f3077351df807a33eb47440322a3c5af966946 100644
--- a/doc/html/Section_start.html
+++ b/doc/html/Section_start.html
@@ -73,18 +73,48 @@
- <ul class="current">
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1 current"><a class="current reference internal" href="#">2. Getting Started</a><ul>
<li class="toctree-l2"><a class="reference internal" href="#what-s-in-the-lammps-distribution">2.1. What’s in the LAMMPS distribution</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#making-lammps">2.2. Making LAMMPS</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#making-lammps-with-optional-packages">2.3. Making LAMMPS with optional packages</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#making-lammps">2.2. Making LAMMPS</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#read-this-first">2.2.1. Read this first</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#steps-to-build-a-lammps-executable">2.2.2. Steps to build a LAMMPS executable</a><ul>
+<li class="toctree-l4"><a class="reference internal" href="#step-0">2.2.2.1. Step 0</a></li>
+<li class="toctree-l4"><a class="reference internal" href="#step-1">2.2.2.2. Step 1</a></li>
+<li class="toctree-l4"><a class="reference internal" href="#step-2">2.2.2.3. Step 2</a></li>
+<li class="toctree-l4"><a class="reference internal" href="#step-3">2.2.2.4. Step 3</a></li>
+<li class="toctree-l4"><a class="reference internal" href="#step-4">2.2.2.5. Step 4</a></li>
+<li class="toctree-l4"><a class="reference internal" href="#step-5">2.2.2.6. Step 5</a></li>
+<li class="toctree-l4"><a class="reference internal" href="#step-6">2.2.2.7. Step 6</a></li>
+<li class="toctree-l4"><a class="reference internal" href="#step-7">2.2.2.8. Step 7</a></li>
+<li class="toctree-l4"><a class="reference internal" href="#step-8">2.2.2.9. Step 8</a></li>
+<li class="toctree-l4"><a class="reference internal" href="#step-9">2.2.2.10. Step 9</a></li>
+</ul>
+</li>
+<li class="toctree-l3"><a class="reference internal" href="#additional-build-tips">2.2.3. Additional build tips</a><ul>
+<li class="toctree-l4"><a class="reference internal" href="#building-lammps-for-multiple-platforms">2.2.3.1. Building LAMMPS for multiple platforms.</a></li>
+<li class="toctree-l4"><a class="reference internal" href="#cleaning-up">2.2.3.2. Cleaning up.</a></li>
+</ul>
+</li>
+<li class="toctree-l3"><a class="reference internal" href="#building-for-a-mac">2.2.4. Building for a Mac</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#building-for-windows">2.2.5. Building for Windows</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="#making-lammps-with-optional-packages">2.3. Making LAMMPS with optional packages</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#package-basics">2.3.1. Package basics:</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#including-excluding-packages">2.3.2. Including/excluding packages</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#packages-that-require-extra-libraries">2.3.3. Packages that require extra libraries</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#packages-that-require-makefile-machine-settings">2.3.4. Packages that require Makefile.machine settings</a></li>
+</ul>
+</li>
<li class="toctree-l2"><a class="reference internal" href="#building-lammps-via-the-make-py-tool">2.4. Building LAMMPS via the Make.py tool</a></li>
<li class="toctree-l2"><a class="reference internal" href="#building-lammps-as-a-library">2.5. Building LAMMPS as a library</a><ul>
-<li class="toctree-l3"><a class="reference internal" href="#static-library">2.5.1. <strong>Static library:</strong></a></li>
-<li class="toctree-l3"><a class="reference internal" href="#shared-library">2.5.2. <strong>Shared library:</strong></a></li>
+<li class="toctree-l3"><a class="reference internal" href="#static-library">2.5.1. Static library</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#shared-library">2.5.2. Shared library</a></li>
<li class="toctree-l3"><a class="reference internal" href="#additional-requirement-for-using-a-shared-library">2.5.3. <strong>Additional requirement for using a shared library:</strong></a></li>
-<li class="toctree-l3"><a class="reference internal" href="#calling-the-lammps-library">2.5.4. <strong>Calling the LAMMPS library:</strong></a></li>
+<li class="toctree-l3"><a class="reference internal" href="#calling-the-lammps-library">2.5.4. Calling the LAMMPS library</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="#running-lammps">2.6. Running LAMMPS</a></li>
@@ -105,6 +135,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -174,8 +216,7 @@ experienced users.</p>
the downloaded file with the following commands, after placing the
tarball in an appropriate directory.</p>
<pre class="literal-block">
-gunzip lammps*.tar.gz
-tar xvf lammps*.tar
+tar -xzvf lammps*.tar.gz
</pre>
<p>This will create a LAMMPS directory containing two files and several
sub-directories:</p>
@@ -212,13 +253,14 @@ sub-directories:</p>
</tbody>
</table>
<p>Note that the <a class="reference external" href="http://lammps.sandia.gov/download.html">download page</a> also has links to download
-Windows exectubles and installers, as well as pre-built executables
-for a few specific Linux distributions. It also has instructions for
-how to download/install LAMMPS for Macs (via Homebrew), and to
+pre-build Windows installers, as well as pre-built packages for
+several widely used Linux distributions. It also has instructions
+for how to download/install LAMMPS for Macs (via Homebrew), and to
download and update LAMMPS from SVN and Git repositories, which gives
-you the same files that are in the download tarball.</p>
-<p>The Windows and Linux executables for serial or parallel only include
-certain packages and bug-fixes/upgrades listed on <a class="reference external" href="http://lammps.sandia.gov/bug.html">this page</a> up to a certain date, as
+you access to the up-to-date sources that are used by the LAMMPS
+core developers.</p>
+<p>The Windows and Linux packages for serial or parallel include
+only selected packages and bug-fixes/upgrades listed on <a class="reference external" href="http://lammps.sandia.gov/bug.html">this page</a> up to a certain date, as
stated on the download page. If you want an executable with
non-included packages or that is more current, then you’ll need to
build LAMMPS yourself, as discussed in the next section.</p>
@@ -238,7 +280,8 @@ launch a LAMMPS Windows executable on a Windows box.</p>
<li><a class="reference internal" href="#start-2-6"><span class="std std-ref">Building for Windows</span></a></li>
</ul>
<hr class="docutils" />
-<p id="start-2-1"><a href="#id1"><span class="problematic" id="id2">**</span></a><em>Read this first:</em>**</p>
+<div class="section" id="read-this-first">
+<span id="start-2-1"></span><h3>2.2.1. Read this first</h3>
<p>If you want to avoid building LAMMPS yourself, read the preceeding
section about options available for downloading and installing
executables. Details are discussed on the <a class="reference external" href="http://lammps.sandia.gov/download.html">download</a> page.</p>
@@ -296,8 +339,11 @@ there isn’t a similar machine Makefile included in the
src/MAKE/MACHINES directory, then send it to the developers and we can
include it in the LAMMPS distribution.</p>
<hr class="docutils" />
-<p id="start-2-2"><a href="#id3"><span class="problematic" id="id4">**</span></a><em>Steps to build a LAMMPS executable:</em>**</p>
-<p><strong>Step 0</strong></p>
+</div>
+<div class="section" id="steps-to-build-a-lammps-executable">
+<span id="start-2-2"></span><h3>2.2.2. Steps to build a LAMMPS executable</h3>
+<div class="section" id="step-0">
+<h4>2.2.2.1. Step 0</h4>
<p>The src directory contains the C++ source and header files for LAMMPS.
It also contains a top-level Makefile and a MAKE sub-directory with
low-level Makefile.* files for many systems and machines. See the
@@ -315,13 +361,17 @@ it will be never be touched by any LAMMPS updates.</p>
a list of available choices from src/MAKE and all of its
sub-directories. If one of those has the options you want or is the
machine you want, you can type a command like:</p>
-<pre class="literal-block">
-make mpi
-or
-make serial_icc
-or
-gmake mac
-</pre>
+<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">make</span> <span class="n">mpi</span>
+</pre></div>
+</div>
+<p>or</p>
+<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">make</span> <span class="n">serial</span>
+</pre></div>
+</div>
+<p>or</p>
+<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">gmake</span> <span class="n">mac</span>
+</pre></div>
+</div>
<p>Note that the corresponding Makefile.machine can exist in src/MAKE or
any of its sub-directories. If a file with the same name appears in
multiple places (not a good idea), the order they are used is as
@@ -331,11 +381,13 @@ src/MAKE/MINE.</p>
<p>Note that on a multi-processor or multi-core platform you can launch a
parallel make, by using the “-j” switch with the make command, which
will build LAMMPS more quickly.</p>
-<p>If you get no errors and an executable like lmp_mpi or lmp_g++_serial
-or lmp_mac is produced, then you’re done; it’s your lucky day.</p>
+<p>If you get no errors and an executable like <strong>lmp_mpi</strong> or <strong>lmp_serial</strong>
+or <strong>lmp_mac</strong> is produced, then you’re done; it’s your lucky day.</p>
<p>Note that by default only a few of LAMMPS optional packages are
installed. To build LAMMPS with optional packages, see <a class="reference internal" href="#start-3"><span class="std std-ref">this section</span></a> below.</p>
-<p><strong>Step 1</strong></p>
+</div>
+<div class="section" id="step-1">
+<h4>2.2.2.2. Step 1</h4>
<p>If Step 0 did not work, you will need to create a low-level Makefile
for your machine, like Makefile.foo. You should make a copy of an
existing Makefile.* in src/MAKE or one of its sub-directories as a
@@ -344,11 +396,15 @@ the first line, the “compiler/linker settings” section, and the
“LAMMPS-specific settings” section. When it works, put the edited
file in src/MAKE/MINE and it will not be altered by any future LAMMPS
updates.</p>
-<p><strong>Step 2</strong></p>
+</div>
+<div class="section" id="step-2">
+<h4>2.2.2.3. Step 2</h4>
<p>Change the first line of Makefile.foo to list the word “foo” after the
“#”, and whatever other options it will set. This is the line you
will see if you just type “make”.</p>
-<p><strong>Step 3</strong></p>
+</div>
+<div class="section" id="step-3">
+<h4>2.2.2.4. Step 3</h4>
<p>The “compiler/linker settings” section lists compiler and linker
settings for your C++ compiler, including optimization flags. You can
use g++, the open-source GNU compiler, which is available on all Unix
@@ -371,7 +427,9 @@ involve dependency files. Note that when you build LAMMPS for the
first time on a new platform, a long list of *.d files will be printed
out rapidly. This is not an error; it is the Makefile doing its
normal creation of dependencies.</p>
-<p><strong>Step 4</strong></p>
+</div>
+<div class="section" id="step-4">
+<h4>2.2.2.5. Step 4</h4>
<p>The “system-specific settings” section has several parts. Note that
if you change any -D setting in this section, you should do a full
re-compile, after typing “make clean” (which will describe different
@@ -470,7 +528,9 @@ options can make for faster parallel FFTs (in the PPPM solver) on some
platforms. The -DPACK_ARRAY setting is the default. See the
<a class="reference internal" href="kspace_style.html"><span class="doc">kspace_style</span></a> command for info about PPPM. See
Step 6 below for info about building LAMMPS with an FFT library.</p>
-<p><strong>Step 5</strong></p>
+</div>
+<div class="section" id="step-5">
+<h4>2.2.2.6. Step 5</h4>
<p>The 3 MPI variables are used to specify an MPI library to build LAMMPS
with. Note that you do not need to set these if you use the MPI
compiler mpicxx for your CC and LINK setting in the section above.
@@ -517,7 +577,9 @@ gettimeofday() , you’ll need to insert code to call another timer.
Note that the ANSI-standard function clock() rolls over after an hour
or so, and is therefore insufficient for timing long LAMMPS
simulations.</p>
-<p><strong>Step 6</strong></p>
+</div>
+<div class="section" id="step-6">
+<h4>2.2.2.7. Step 6</h4>
<p>The 3 FFT variables allow you to specify an FFT library which LAMMPS
uses (for performing 1d FFTs) when running the particle-particle
particle-mesh (PPPM) option for long-range Coulombics via the
@@ -563,7 +625,9 @@ double precision. Using the -DFFT_SINGLE setting trades off a little
accuracy for reduced memory use and parallel communication costs for
transposing 3d FFT data. Note that single precision FFTs have only
been tested with the FFTW3, FFTW2, MKL, and KISS FFT options.</p>
-<p><strong>Step 7</strong></p>
+</div>
+<div class="section" id="step-7">
+<h4>2.2.2.8. Step 7</h4>
<p>The 3 JPG variables allow you to specify a JPEG and/or PNG library
which LAMMPS uses when writing out JPEG or PNG files via the <a class="reference internal" href="dump_image.html"><span class="doc">dump image</span></a> command. These can be left blank if you do not
use the -DLAMMPS_JPEG or -DLAMMPS_PNG switches discussed above in Step
@@ -580,10 +644,14 @@ JPG_PATH, and JPG_LIB variables, so that the compiler and linker can
find it.</p>
<p>As before, if these header and library files are in the usual place on
your machine, you may not need to set these variables.</p>
-<p><strong>Step 8</strong></p>
+</div>
+<div class="section" id="step-8">
+<h4>2.2.2.9. Step 8</h4>
<p>Note that by default only a few of LAMMPS optional packages are
installed. To build LAMMPS with optional packages, see <a class="reference internal" href="#start-3"><span class="std std-ref">this section</span></a> below, before proceeding to Step 9.</p>
-<p><strong>Step 9</strong></p>
+</div>
+<div class="section" id="step-9">
+<h4>2.2.2.10. Step 9</h4>
<p>That’s it. Once you have a correct Makefile.foo, and you have
pre-built any other needed libraries (e.g. MPI, FFT, etc) all you need
to do from the src directory is type something like this:</p>
@@ -598,7 +666,7 @@ faster, depending on how many cores your compilation machine has. N
is the number of cores the build runs on.</p>
<p>You should get the executable lmp_foo when the build is complete.</p>
<hr class="docutils" />
-<p id="start-2-3"><a href="#id5"><span class="problematic" id="id6">**</span></a><em>Errors that can occur when making LAMMPS:</em>**</p>
+<p id="start-2-3">Errors that can occur when making LAMMPS: h5</p>
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last">If an error occurs when building LAMMPS, the compiler or linker
@@ -632,21 +700,24 @@ is undefined’, then your machine does not support “long long”
integers. Try using the -DLAMMPS_LONGLONG_TO_LONG setting described
above in Step 4.</p>
<hr class="docutils" />
-<p id="start-2-4"><a href="#id7"><span class="problematic" id="id8">**</span></a><em>Additional build tips:</em>**</p>
-<ol class="arabic simple">
-<li>Building LAMMPS for multiple platforms.</li>
-</ol>
+</div>
+</div>
+<div class="section" id="additional-build-tips">
+<span id="start-2-4"></span><h3>2.2.3. Additional build tips</h3>
+<div class="section" id="building-lammps-for-multiple-platforms">
+<h4>2.2.3.1. Building LAMMPS for multiple platforms.</h4>
<p>You can make LAMMPS for multiple platforms from the same src
directory. Each target creates its own object sub-directory called
Obj_target where it stores the system-specific *.o files.</p>
-<ol class="arabic simple" start="2">
-<li>Cleaning up.</li>
-</ol>
+</div>
+<div class="section" id="cleaning-up">
+<h4>2.2.3.2. Cleaning up.</h4>
<p>Typing “make clean-all” or “make clean-machine” will delete *.o object
files created when LAMMPS is built, for either all builds or for a
particular machine.</p>
-<p>(3) Changing the LAMMPS size limits via -DLAMMPS_SMALLBIG or
--DLAMMPS_BIGBIG or -DLAMMPS_SMALLSMALL</p>
+<p>Changing the LAMMPS size limits via -DLAMMPS_SMALLBIG or
+-DLAMMPS_BIGBIG or -DLAMMPS_SMALLSMALL
+“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”“”</p>
<p>As explained above, any of these 3 settings can be specified on the
LMP_INC line in your low-level src/MAKE/Makefile.foo.</p>
<p>The default is -DLAMMPS_SMALLBIG which allows for systems with up to
@@ -686,31 +757,44 @@ basis is limited by 4-byte integer storage to 2^31 atoms per processor
a problem would have a huge per-processor memory footprint due to
neighbor lists and would run very slowly in terms of CPU secs/timestep.</p>
<hr class="docutils" />
-<p id="start-2-5"><a href="#id9"><span class="problematic" id="id10">**</span></a><em>Building for a Mac:</em>**</p>
+</div>
+</div>
+<div class="section" id="building-for-a-mac">
+<span id="start-2-5"></span><h3>2.2.4. Building for a Mac</h3>
<p>OS X is BSD Unix, so it should just work. See the
src/MAKE/MACHINES/Makefile.mac and Makefile.mac_mpi files.</p>
<hr class="docutils" />
-<p id="start-2-6"><a href="#id11"><span class="problematic" id="id12">**</span></a><em>Building for Windows:</em>**</p>
-<p>The LAMMPS download page has an option to download both a serial and
-parallel pre-built Windows executable. See the <a class="reference internal" href="#start-6"><span class="std std-ref">Running LAMMPS</span></a> section for instructions on running these executables
-on a Windows box.</p>
-<p>The pre-built executables hosted on the <a class="reference external" href="http://lammps.sandia.gov/download.html">LAMMPS download page</a> are built with a subset
-of the available packages; see the download page for the list. These
-are single executable files. No examples or documentation in
-included. You will need to download the full source code package to
-obtain those.</p>
+</div>
+<div class="section" id="building-for-windows">
+<span id="start-2-6"></span><h3>2.2.5. Building for Windows</h3>
+<p>If you want to build a Windows version of LAMMPS, you can build it
+yourself, but it may require some effort. LAMMPS expects a Unix-like
+build environment for the default build procedure. This can be done
+using either Cygwin or MinGW; the latter also exists as a ready-to-use
+Linux-to-Windows cross-compiler in several Linux distributions. In
+these cases, you can do the installation after installing several
+unix-style commands like make, grep, sed and bash with some shell
+utilities.</p>
+<p>For Cygwin and the MinGW cross-compilers, suitable makefiles are
+provided in src/MAKE/MACHINES. When using other compilers, like
+Visual C++ or Intel compilers for Windows, you may have to implement
+your own build system. Since none of the current LAMMPS core developers
+has significant experience building executables on Windows, we are
+happy to distribute contributed instructions and modifications, but
+we cannot provide support for those.</p>
+<p>With the so-called “Anniversary Update” to Windows 10, there is a
+Ubuntu subsystem available for Windows, that can be installed and
+then it can be used to compile/install LAMMPS as if you are running
+on a Ubuntu Linux system.</p>
<p>As an alternative, you can download “daily builds” (and some older
versions) of the installer packages from
<a class="reference external" href="http://rpm.lammps.org/windows.html">rpm.lammps.org/windows.html</a>.
These executables are built with most optional packages and the
-download includes documentation, some tools and most examples.</p>
-<p>If you want a Windows version with specific packages included and
-excluded, you can build it yourself.</p>
-<p>One way to do this is install and use cygwin to build LAMMPS with a
-standard unix style make program, just as you would on a Linux box;
-see src/MAKE/MACHINES/Makefile.cygwin.</p>
+download includes documentation, potential files, some tools and
+many examples, but no source code.</p>
<hr class="docutils" />
</div>
+</div>
<div class="section" id="making-lammps-with-optional-packages">
<span id="start-3"></span><h2>2.3. Making LAMMPS with optional packages</h2>
<p>This section has the following sub-sections:</p>
@@ -725,7 +809,8 @@ tool which can be used to install/un-install packages and build the
auxiliary libraries which some of them use. It can also auto-edit a
Makefile.machine to add settings needed by some packages.</p>
<hr class="docutils" />
-<p id="start-3-1"><a href="#id13"><span class="problematic" id="id14">**</span></a><em>Package basics:</em>**</p>
+<div class="section" id="package-basics">
+<span id="start-3-1"></span><h3>2.3.1. Package basics:</h3>
<p>The source code for LAMMPS is structured as a set of core files which
are always included, plus optional packages. Packages are groups of
files that enable a specific set of features. For example, force
@@ -749,7 +834,7 @@ lmp_machine -h
commands known to your executable, and immediately exit.</p>
<p>There are two kinds of packages in LAMMPS, standard and user packages.
More information about the contents of standard and user packages is
-given in <a class="reference internal" href="Section_packages.html"><span class="doc">Section_packages</span></a> of the manual. The
+given in <a class="reference internal" href="Section_packages.html"><span class="doc">Section 4</span></a> of the manual. The
difference between standard and user packages is as follows:</p>
<p>Standard packages, such as molecule or kspace, are supported by the
LAMMPS developers and are written in a syntax and style consistent
@@ -768,7 +853,9 @@ Information on how to submit additions you make to LAMMPS as single
files or either a standard or user-contributed package are given in
<a class="reference internal" href="Section_modify.html#mod-15"><span class="std std-ref">this section</span></a> of the documentation.</p>
<hr class="docutils" />
-<p id="start-3-2"><a href="#id15"><span class="problematic" id="id16">**</span></a><em>Including/excluding packages:</em>**</p>
+</div>
+<div class="section" id="including-excluding-packages">
+<span id="start-3-2"></span><h3>2.3.2. Including/excluding packages</h3>
<p>To use (or not use) a package you must include it (or exclude it)
before building LAMMPS. From the src directory, this is typically as
simple as:</p>
@@ -837,13 +924,15 @@ sub-directory. Typing “make package-diff” lists all differences
between these files. Again, type “make package” to see all of the
package-related make options.</p>
<hr class="docutils" />
-<p id="start-3-3"><a href="#id17"><span class="problematic" id="id18">**</span></a><em>Packages that require extra libraries:</em>**</p>
+</div>
+<div class="section" id="packages-that-require-extra-libraries">
+<span id="start-3-3"></span><h3>2.3.3. Packages that require extra libraries</h3>
<p>A few of the standard and user packages require additional auxiliary
libraries. Many of them are provided with LAMMPS, in which case they
must be compiled first, before LAMMPS is built, if you wish to include
that package. If you get a LAMMPS build error about a missing
library, this is likely the reason. See the
-<a class="reference internal" href="Section_packages.html"><span class="doc">Section_packages</span></a> doc page for a list of
+<a class="reference internal" href="Section_packages.html"><span class="doc">Section 4</span></a> doc page for a list of
packages that have these kinds of auxiliary libraries.</p>
<p>The lib directory in the distribution has sub-directories with package
names that correspond to the needed auxiliary libs, e.g. lib/gpu.
@@ -908,7 +997,9 @@ needed soft links. Type “python install.py” for further instruction
or settings in the lib/package/Makefile.lammps files are not correct,
the LAMMPS build will typically fail.</p>
<hr class="docutils" />
-<p id="start-3-4"><a href="#id19"><span class="problematic" id="id20">**</span></a><em>Packages that require Makefile.machine settings</em>**</p>
+</div>
+<div class="section" id="packages-that-require-makefile-machine-settings">
+<span id="start-3-4"></span><h3>2.3.4. Packages that require Makefile.machine settings</h3>
<p>A few packages require specific settings in Makefile.machine, to
either build or use the package effectively. These are the
USER-INTEL, KOKKOS, USER-OMP, and OPT packages, used for accelerating
@@ -941,6 +1032,7 @@ KOKKOS package builds for OpenMP, GPUs (Cuda), and the Xeon Phi.</p>
machine Makefile, using simple command-line arguments.</p>
<hr class="docutils" />
</div>
+</div>
<div class="section" id="building-lammps-via-the-make-py-tool">
<span id="start-4"></span><h2>2.4. Building LAMMPS via the Make.py tool</h2>
<p>The src directory includes a Make.py script, written in Python, which
@@ -1080,7 +1172,7 @@ then be called from another application or a scripting language. See
LAMMPS to other codes. See <a class="reference internal" href="Section_python.html"><span class="doc">this section</span></a> for
more info on wrapping and running LAMMPS from Python.</p>
<div class="section" id="static-library">
-<h3>2.5.1. <strong>Static library:</strong></h3>
+<h3>2.5.1. Static library</h3>
<p>To build LAMMPS as a static library (*.a file on Linux), type</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">make</span> <span class="n">foo</span> <span class="n">mode</span><span class="o">=</span><span class="n">lib</span>
</pre></div>
@@ -1094,14 +1186,14 @@ link to. It will also create a soft link liblammps.a, which will
point to the most recently built static library.</p>
</div>
<div class="section" id="shared-library">
-<h3>2.5.2. <strong>Shared library:</strong></h3>
+<h3>2.5.2. Shared library</h3>
<p>To build LAMMPS as a shared library (*.so file on Linux), which can be
dynamically loaded, e.g. from Python, type</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">make</span> <span class="n">foo</span> <span class="n">mode</span><span class="o">=</span><span class="n">shlib</span>
</pre></div>
</div>
<p>where foo is the machine name. This kind of library is required when
-wrapping LAMMPS with Python; see <a class="reference internal" href="Section_python.html"><span class="doc">Section_python</span></a>
+wrapping LAMMPS with Python; see <a class="reference internal" href="Section_python.html"><span class="doc">Section 11</span></a>
for details. This will use the SHFLAGS and SHLIBFLAGS settings in
src/MAKE/Makefile.foo and perform the build in the directory
Obj_shared_foo. This is so that each file can be compiled with the
@@ -1162,7 +1254,7 @@ setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:/home/sjplimp/lammps/src
</pre>
</div>
<div class="section" id="calling-the-lammps-library">
-<h3>2.5.4. <strong>Calling the LAMMPS library:</strong></h3>
+<h3>2.5.4. Calling the LAMMPS library</h3>
<p>Either flavor of library (static or shared) allows one or more LAMMPS
objects to be instantiated from the calling program.</p>
<p>When used from a C++ program, all of LAMMPS is wrapped in a LAMMPS_NS
@@ -1174,12 +1266,12 @@ src/library.cpp and src/library.h.</p>
<p>See the sample codes in examples/COUPLE/simple for examples of C++ and
C and Fortran codes that invoke LAMMPS thru its library interface.
There are other examples as well in the COUPLE directory which are
-discussed in <a class="reference internal" href="Section_howto.html#howto-10"><span class="std std-ref">Section_howto 10</span></a> of the
-manual. See <a class="reference internal" href="Section_python.html"><span class="doc">Section_python</span></a> of the manual for a
+discussed in <a class="reference internal" href="Section_howto.html#howto-10"><span class="std std-ref">Section 6.10</span></a> of the
+manual. See <a class="reference internal" href="Section_python.html"><span class="doc">Section 11</span></a> of the manual for a
description of the Python wrapper provided with LAMMPS that operates
through the LAMMPS library interface.</p>
<p>The files src/library.cpp and library.h define the C-style API for
-using LAMMPS as a library. See <a class="reference internal" href="Section_howto.html#howto-19"><span class="std std-ref">Section_howto 19</span></a> of the manual for a description of the
+using LAMMPS as a library. See <a class="reference internal" href="Section_howto.html#howto-19"><span class="std std-ref">Section 6.19</span></a> of the manual for a description of the
interface and how to extend it for your needs.</p>
<hr class="docutils" />
</div>
@@ -1222,43 +1314,56 @@ various platforms. Note that some of the example scripts require
LAMMPS to be built with one or more of its optional packages.</p>
<hr class="docutils" />
<p>On a Windows box, you can skip making LAMMPS and simply download an
-executable, as described above, though the pre-packaged executables
-include only certain packages.</p>
-<p>To run a LAMMPS executable on a Windows machine, first decide whether
-you want to download the non-MPI (serial) or the MPI (parallel)
-version of the executable. Download and save the version you have
-chosen.</p>
-<p>For the non-MPI version, follow these steps:</p>
+installer package from <a class="reference external" href="http://rpm.lammps.org/windows.html">here</a></p>
+<p>For running the non-MPI executable, follow these steps:</p>
<ul class="simple">
<li>Get a command prompt by going to Start->Run... ,
then typing “cmd”.</li>
-<li>Move to the directory where you have saved lmp_win_no-mpi.exe
-(e.g. by typing: cd “Documents”).</li>
-<li>At the command prompt, type “lmp_win_no-mpi -in in.lj”, replacing in.lj
+<li>Move to the directory where you have your input, e.g. a copy of
+the <strong>in.lj</strong> input from the bench folder. (e.g. by typing: cd “Documents”).</li>
+<li>At the command prompt, type “lmp_serial -in in.lj”, replacing <strong>in.lj</strong>
with the name of your LAMMPS input script.</li>
</ul>
<p>For the MPI version, which allows you to run LAMMPS under Windows on
multiple processors, follow these steps:</p>
-<ul class="simple">
-<li>Download and install
+<ul>
+<li><p class="first">Download and install
<a class="reference external" href="http://www.mcs.anl.gov/research/projects/mpich2/downloads/index.php?s=downloads">MPICH2</a>
-for Windows.</li>
-<li>You’ll need to use the mpiexec.exe and smpd.exe files from the MPICH2
-package. Put them in same directory (or path) as the LAMMPS Windows
-executable.</li>
-<li>Get a command prompt by going to Start->Run... ,
-then typing “cmd”.</li>
-<li>Move to the directory where you have saved lmp_win_mpi.exe
-(e.g. by typing: cd “Documents”).</li>
-<li>Then type something like this: “mpiexec -localonly 4 lmp_win_mpi -in
-in.lj”, replacing in.lj with the name of your LAMMPS input script.</li>
-<li>Note that you may need to provide smpd with a passphrase (it doesn’t
-matter what you type).</li>
-<li>In this mode, output may not immediately show up on the screen, so if
+for Windows.</p>
+<p>The LAMMPS Windows installer packages will automatically adjust your
+path for the default location of this MPI package. After the installation
+of the MPICH software, it needs to be integrated into the system.
+For this you need to start a Command Prompt in <em>Administrator Mode</em>
+(right click on the icon and select it). Change into the MPICH2
+installation directory, then into the subdirectory <strong>bin</strong> and execute
+<strong>smpd.exe -install</strong>. Exit the command window.</p>
+</li>
+<li><p class="first">Get a new, regular command prompt by going to Start->Run... ,
+then typing “cmd”.</p>
+</li>
+<li><p class="first">Move to the directory where you have your input file
+(e.g. by typing: cd “Documents”).</p>
+<p>Then type something like this:</p>
+<pre class="literal-block">
+mpiexec -localonly 4 lmp_mpi -in in.lj
+</pre>
+<p>or</p>
+<pre class="literal-block">
+mpiexec -np 4 lmp_mpi -in in.lj
+</pre>
+</li>
+<li><p class="first">replacing in.lj with the name of your LAMMPS input script. For the latter
+case, you may be prompted to enter your password.</p>
+</li>
+<li><p class="first">In this mode, output may not immediately show up on the screen, so if
your input script takes a long time to execute, you may need to be
-patient before the output shows up. Alternatively, you can still
-use this executable to run on a single processor by typing something
-like: “lmp_win_mpi -in in.lj”.</li>
+patient before the output shows up.</p>
+<p>The parallel executable can also run on a single processor by typing
+something like:</p>
+<pre class="literal-block">
+lmp_mpi -in in.lj
+</pre>
+</li>
</ul>
<hr class="docutils" />
<p>The screen output from LAMMPS is described in a section below. As it
@@ -1273,7 +1378,7 @@ files and write its output files to the executable directory, rather
than your working directory, which is probably not what you want.</p>
<p>If LAMMPS encounters errors in the input script or while running a
simulation it will print an ERROR message and stop or a WARNING
-message and continue. See <a class="reference internal" href="Section_errors.html"><span class="doc">Section_errors</span></a> for a
+message and continue. See <a class="reference internal" href="Section_errors.html"><span class="doc">Section 12</span></a> for a
discussion of the various kinds of errors LAMMPS can or can’t detect,
a list of all ERROR and WARNING messages, and what to do about them.</p>
<p>LAMMPS can run a problem on any number of processors, including a
@@ -1480,7 +1585,7 @@ replica runs on on one or a few processors. Note that with MPI
installed on a machine (e.g. your desktop), you can run on more
(virtual) processors than you have physical processors.</p>
<p>To run multiple independent simulatoins from one input script, using
-multiple partitions, see <a class="reference internal" href="Section_howto.html#howto-4"><span class="std std-ref">Section_howto 4</span></a>
+multiple partitions, see <a class="reference internal" href="Section_howto.html#howto-4"><span class="std std-ref">Section 6.4</span></a>
of the manual. World- and universe-style <a class="reference internal" href="variable.html"><span class="doc">variables</span></a>
are useful in this context.</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="o">-</span><span class="n">plog</span> <span class="n">file</span>
@@ -1544,7 +1649,7 @@ cores within each node are ranked in a desired order. Or when using
the <a class="reference internal" href="run_style.html"><span class="doc">run_style verlet/split</span></a> command with 2 partitions
to insure that a specific Kspace processor (in the 2nd partition) is
matched up with a specific set of processors in the 1st partition.
-See the <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> doc pages for
+See the <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> doc pages for
more details.</p>
<p>If the keyword <em>nth</em> is used with a setting <em>N</em>, then it means every
Nth processor will be moved to the end of the ranking. This is useful
@@ -1711,19 +1816,19 @@ simulation. An example set of statistics is shown here:</p>
<span class="mf">97.0</span><span class="o">%</span> <span class="n">CPU</span> <span class="n">use</span> <span class="k">with</span> <span class="mi">4</span> <span class="n">MPI</span> <span class="n">tasks</span> <span class="n">x</span> <span class="n">no</span> <span class="n">OpenMP</span> <span class="n">threads</span>
</pre></div>
</div>
-<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">MPI</span> <span class="n">task</span> <span class="n">timings</span> <span class="n">breakdown</span><span class="p">:</span>
-<span class="n">Section</span> <span class="o">|</span> <span class="nb">min</span> <span class="n">time</span> <span class="o">|</span> <span class="n">avg</span> <span class="n">time</span> <span class="o">|</span> <span class="nb">max</span> <span class="n">time</span> <span class="o">|%</span><span class="n">varavg</span><span class="o">|</span> <span class="o">%</span><span class="n">total</span>
-<span class="o">---------------------------------------------------------------</span>
-<span class="n">Pair</span> <span class="o">|</span> <span class="mf">1.9808</span> <span class="o">|</span> <span class="mf">2.0134</span> <span class="o">|</span> <span class="mf">2.0318</span> <span class="o">|</span> <span class="mf">1.4</span> <span class="o">|</span> <span class="mf">71.60</span>
-<span class="n">Bond</span> <span class="o">|</span> <span class="mf">0.0021894</span> <span class="o">|</span> <span class="mf">0.0060319</span> <span class="o">|</span> <span class="mf">0.010058</span> <span class="o">|</span> <span class="mf">4.7</span> <span class="o">|</span> <span class="mf">0.21</span>
-<span class="n">Kspace</span> <span class="o">|</span> <span class="mf">0.3207</span> <span class="o">|</span> <span class="mf">0.3366</span> <span class="o">|</span> <span class="mf">0.36616</span> <span class="o">|</span> <span class="mf">3.1</span> <span class="o">|</span> <span class="mf">11.97</span>
-<span class="n">Neigh</span> <span class="o">|</span> <span class="mf">0.28411</span> <span class="o">|</span> <span class="mf">0.28464</span> <span class="o">|</span> <span class="mf">0.28516</span> <span class="o">|</span> <span class="mf">0.1</span> <span class="o">|</span> <span class="mf">10.12</span>
-<span class="n">Comm</span> <span class="o">|</span> <span class="mf">0.075732</span> <span class="o">|</span> <span class="mf">0.077018</span> <span class="o">|</span> <span class="mf">0.07883</span> <span class="o">|</span> <span class="mf">0.4</span> <span class="o">|</span> <span class="mf">2.74</span>
-<span class="n">Output</span> <span class="o">|</span> <span class="mf">0.00030518</span> <span class="o">|</span> <span class="mf">0.00042665</span> <span class="o">|</span> <span class="mf">0.00078821</span> <span class="o">|</span> <span class="mf">1.0</span> <span class="o">|</span> <span class="mf">0.02</span>
-<span class="n">Modify</span> <span class="o">|</span> <span class="mf">0.086606</span> <span class="o">|</span> <span class="mf">0.086631</span> <span class="o">|</span> <span class="mf">0.086668</span> <span class="o">|</span> <span class="mf">0.0</span> <span class="o">|</span> <span class="mf">3.08</span>
-<span class="n">Other</span> <span class="o">|</span> <span class="o">|</span> <span class="mf">0.007178</span> <span class="o">|</span> <span class="o">|</span> <span class="o">|</span> <span class="mf">0.26</span>
-</pre></div>
-</div>
+<pre class="literal-block">
+MPI task timings breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 1.9808 | 2.0134 | 2.0318 | 1.4 | 71.60
+Bond | 0.0021894 | 0.0060319 | 0.010058 | 4.7 | 0.21
+Kspace | 0.3207 | 0.3366 | 0.36616 | 3.1 | 11.97
+Neigh | 0.28411 | 0.28464 | 0.28516 | 0.1 | 10.12
+Comm | 0.075732 | 0.077018 | 0.07883 | 0.4 | 2.74
+Output | 0.00030518 | 0.00042665 | 0.00078821 | 1.0 | 0.02
+Modify | 0.086606 | 0.086631 | 0.086668 | 0.0 | 3.08
+Other | | 0.007178 | | | 0.26
+</pre>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">Nlocal</span><span class="p">:</span> <span class="mi">501</span> <span class="n">ave</span> <span class="mi">508</span> <span class="nb">max</span> <span class="mi">490</span> <span class="nb">min</span>
<span class="n">Histogram</span><span class="p">:</span> <span class="mi">1</span> <span class="mi">0</span> <span class="mi">0</span> <span class="mi">0</span> <span class="mi">0</span> <span class="mi">0</span> <span class="mi">1</span> <span class="mi">1</span> <span class="mi">0</span> <span class="mi">1</span>
<span class="n">Nghost</span><span class="p">:</span> <span class="mf">6586.25</span> <span class="n">ave</span> <span class="mi">6628</span> <span class="nb">max</span> <span class="mi">6548</span> <span class="nb">min</span>
@@ -1777,17 +1882,17 @@ computation. These thread timings are taking from the first MPI rank
only and and thus, as the breakdown for MPI tasks can change from MPI
rank to MPI rank, this breakdown can be very different for individual
ranks. Here is an example output for this section:</p>
-<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">Thread</span> <span class="n">timings</span> <span class="n">breakdown</span> <span class="p">(</span><span class="n">MPI</span> <span class="n">rank</span> <span class="mi">0</span><span class="p">):</span>
-<span class="n">Total</span> <span class="n">threaded</span> <span class="n">time</span> <span class="mf">0.6846</span> <span class="o">/</span> <span class="mf">90.6</span><span class="o">%</span>
-<span class="n">Section</span> <span class="o">|</span> <span class="nb">min</span> <span class="n">time</span> <span class="o">|</span> <span class="n">avg</span> <span class="n">time</span> <span class="o">|</span> <span class="nb">max</span> <span class="n">time</span> <span class="o">|%</span><span class="n">varavg</span><span class="o">|</span> <span class="o">%</span><span class="n">total</span>
-<span class="o">---------------------------------------------------------------</span>
-<span class="n">Pair</span> <span class="o">|</span> <span class="mf">0.5127</span> <span class="o">|</span> <span class="mf">0.5147</span> <span class="o">|</span> <span class="mf">0.5167</span> <span class="o">|</span> <span class="mf">0.3</span> <span class="o">|</span> <span class="mf">75.18</span>
-<span class="n">Bond</span> <span class="o">|</span> <span class="mf">0.0043139</span> <span class="o">|</span> <span class="mf">0.0046779</span> <span class="o">|</span> <span class="mf">0.0050418</span> <span class="o">|</span> <span class="mf">0.5</span> <span class="o">|</span> <span class="mf">0.68</span>
-<span class="n">Kspace</span> <span class="o">|</span> <span class="mf">0.070572</span> <span class="o">|</span> <span class="mf">0.074541</span> <span class="o">|</span> <span class="mf">0.07851</span> <span class="o">|</span> <span class="mf">1.5</span> <span class="o">|</span> <span class="mf">10.89</span>
-<span class="n">Neigh</span> <span class="o">|</span> <span class="mf">0.084778</span> <span class="o">|</span> <span class="mf">0.086969</span> <span class="o">|</span> <span class="mf">0.089161</span> <span class="o">|</span> <span class="mf">0.7</span> <span class="o">|</span> <span class="mf">12.70</span>
-<span class="n">Reduce</span> <span class="o">|</span> <span class="mf">0.0036485</span> <span class="o">|</span> <span class="mf">0.003737</span> <span class="o">|</span> <span class="mf">0.0038254</span> <span class="o">|</span> <span class="mf">0.1</span> <span class="o">|</span> <span class="mf">0.55</span>
-</pre></div>
-</div>
+<pre class="literal-block">
+Thread timings breakdown (MPI rank 0):
+Total threaded time 0.6846 / 90.6%
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 0.5127 | 0.5147 | 0.5167 | 0.3 | 75.18
+Bond | 0.0043139 | 0.0046779 | 0.0050418 | 0.5 | 0.68
+Kspace | 0.070572 | 0.074541 | 0.07851 | 1.5 | 10.89
+Neigh | 0.084778 | 0.086969 | 0.089161 | 0.7 | 12.70
+Reduce | 0.0036485 | 0.003737 | 0.0038254 | 0.1 | 0.55
+</pre>
<p>The third section lists the number of owned atoms (Nlocal), ghost atoms
(Nghost), and pair-wise neighbors stored per processor. The max and min
values give the spread of these values across processors with a 10-bin
@@ -1849,7 +1954,7 @@ communication, roughly 75% in the example above.</p>
<span id="start-9"></span><h2>2.9. Tips for users of previous LAMMPS versions</h2>
<p>The current C++ began with a complete rewrite of LAMMPS 2001, which
was written in F90. Features of earlier versions of LAMMPS are listed
-in <a class="reference internal" href="Section_history.html"><span class="doc">Section_history</span></a>. The F90 and F77 versions
+in <a class="reference internal" href="Section_history.html"><span class="doc">Section 13</span></a>. The F90 and F77 versions
(2001 and 99) are also freely distributed as open-source codes; check
the <a class="reference external" href="http://lammps.sandia.gov">LAMMPS WWW Site</a> for distribution information if you prefer
those versions. The 99 and 2001 versions are no longer under active
diff --git a/doc/html/Section_tools.html b/doc/html/Section_tools.html
index 0e3948b6a089fad089aa3a9f12ff9c1c2e2429e0..1132f701125c9103b3f83c7ba7914fb06251df81 100644
--- a/doc/html/Section_tools.html
+++ b/doc/html/Section_tools.html
@@ -73,7 +73,8 @@
- <ul class="current">
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -121,6 +122,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -210,13 +223,13 @@ own sub-directories with their own Makefiles.</p>
<li><a class="reference internal" href="#arc"><span class="std std-ref">lmp2arc</span></a></li>
<li><a class="reference internal" href="#cfg"><span class="std std-ref">lmp2cfg</span></a></li>
<li><a class="reference internal" href="#vmd"><span class="std std-ref">lmp2vmd</span></a></li>
-<li><span class="xref std std-ref">matlab</span></li>
+<li><a class="reference internal" href="#matlab"><span class="std std-ref">matlab</span></a></li>
<li><a class="reference internal" href="#micelle"><span class="std std-ref">micelle2d</span></a></li>
<li><a class="reference internal" href="#moltemplate"><span class="std std-ref">moltemplate</span></a></li>
<li><a class="reference internal" href="#msi"><span class="std std-ref">msi2lmp</span></a></li>
<li><a class="reference internal" href="#phonon"><span class="std std-ref">phonon</span></a></li>
<li><a class="reference internal" href="#polybond"><span class="std std-ref">polymer bonding</span></a></li>
-<li><span class="xref std std-ref">pymol_asphere</span></li>
+<li><a class="reference internal" href="#pymol"><span class="std std-ref">pymol_asphere</span></a></li>
<li><a class="reference internal" href="#pythontools"><span class="std std-ref">python</span></a></li>
<li><a class="reference internal" href="#reax-tool"><span class="std std-ref">reax</span></a></li>
<li><a class="reference internal" href="#restart"><span class="std std-ref">restart2data</span></a></li>
@@ -436,7 +449,7 @@ Kohlmeyer (akohlmey at cmm.chem.upenn.edu) at U Penn.</p>
</div>
<div class="section" id="matlab-tool">
<span id="matlab"></span><h2>9.19. matlab tool</h2>
-<p>The matlab sub-directory contains several <span class="xref std std-ref">MATLAB</span> scripts for
+<p>The matlab sub-directory contains several <a class="reference external" href="http://www.mathworks.com">MATLAB</a> scripts for
post-processing LAMMPS output. The scripts include readers for log
and dump files, a reader for EAM potential files, and a converter that
reads LAMMPS dump files and produces CFG files that can be visualized
@@ -515,7 +528,7 @@ complex bonding topologies.</p>
<span id="pymol"></span><h2>9.25. pymol_asphere tool</h2>
<p>The pymol_asphere sub-directory contains a tool for converting a
LAMMPS dump file that contains orientation info for ellipsoidal
-particles into an input file for the <span class="xref std std-ref">PyMol visualization package</span>.</p>
+particles into an input file for the <a class="reference external" href="http://www.pymol.org">PyMol visualization package</a> or its <a class="reference external" href="http://sourceforge.net/scm/?type=svn&group_id=4546">open source variant</a>.</p>
<p>Specifically, the tool triangulates the ellipsoids so they can be
viewed as true ellipsoidal particles within PyMol. See the README and
examples directory within pymol_asphere for more information.</p>
@@ -538,7 +551,7 @@ README for more info on Pizza.py and how to use these scripts.</p>
<hr class="docutils" />
</div>
<div class="section" id="reax-tool">
-<span id="id4"></span><h2>9.27. reax tool</h2>
+<span id="id2"></span><h2>9.27. reax tool</h2>
<p>The reax sub-directory contains stand-alond codes that can
post-process the output of the <a class="reference internal" href="fix_reax_bonds.html"><span class="doc">fix reax/bonds</span></a>
command from a LAMMPS simulation using <a class="reference internal" href="pair_reax.html"><span class="doc">ReaxFF</span></a>. See
diff --git a/doc/html/accelerate_gpu.html b/doc/html/accelerate_gpu.html
index 33e9cc6d7627339574165c2792390b6bb5e038ab..b0dda8d648a817de624bbd27732c0eb4d9cf64a8 100644
--- a/doc/html/accelerate_gpu.html
+++ b/doc/html/accelerate_gpu.html
@@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0">
- <title>5.GPU package — LAMMPS documentation</title>
+ <title>5.3.1. GPU package — LAMMPS documentation</title>
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="5. Accelerating LAMMPS performance" href="Section_accelerate.html"/>
+ <link rel="next" title="5.3.2. USER-INTEL package" href="accelerate_intel.html"/>
+ <link rel="prev" title="5. Accelerating LAMMPS performance" href="Section_accelerate.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,12 +74,29 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
-<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#measuring-performance">5.1. Measuring performance</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#general-strategies">5.2. General strategies</a></li>
+<li class="toctree-l2 current"><a class="reference internal" href="Section_accelerate.html#packages-with-optimized-styles">5.3. Packages with optimized styles</a><ul class="current">
+<li class="toctree-l3 current"><a class="current reference internal" href="#">5.3.1. GPU package</a><ul>
+<li class="toctree-l4"><a class="reference internal" href="#restrictions">5.3.1.1. Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_intel.html">5.3.2. USER-INTEL package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_kokkos.html">5.3.3. KOKKOS package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_omp.html">5.3.4. USER-OMP package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_opt.html">5.3.5. OPT package</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#comparison-of-various-accelerator-packages">5.4. Comparison of various accelerator packages</a></li>
+</ul>
+</li>
<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
@@ -86,6 +106,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,7 +141,9 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
- <li>5.GPU package</li>
+ <li><a href="Section_accelerate.html">5. Accelerating LAMMPS performance</a> »</li>
+
+ <li>5.3.1. GPU package</li>
<li class="wy-breadcrumbs-aside">
@@ -120,13 +154,22 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="accelerate_intel.html" class="btn btn-neutral float-right" title="5.3.2. USER-INTEL package" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="Section_accelerate.html" class="btn btn-neutral" title="5. Accelerating LAMMPS performance" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
<p><a class="reference internal" href="Section_accelerate.html"><span class="doc">Return to Section accelerate overview</span></a></p>
<div class="section" id="gpu-package">
-<h1>5.GPU package</h1>
+<h1>5.3.1. GPU package</h1>
<p>The GPU package was developed by Mike Brown at ORNL and his
collaborators, particularly Trung Nguyen (ORNL). It provides GPU
versions of many pair styles, including the 3-body Stillinger-Weber
@@ -139,7 +182,7 @@ e.g. within a node of a parallel machine.</li>
<li>Atom-based data (e.g. coordinates, forces) moves back-and-forth
between the CPU(s) and GPU every timestep.</li>
<li>Neighbor lists can be built on the CPU or on the GPU</li>
-<li>The charge assignement and force interpolation portions of PPPM can be
+<li>The charge assignment and force interpolation portions of PPPM can be
run on the GPU. The FFT portion, which requires MPI communication
between processors, runs on the CPU.</li>
<li>Asynchronous force computations can be performed simultaneously on the
@@ -331,7 +374,7 @@ This is the maximum memory used at one time on the GPU for data
storage by a single MPI process.</li>
</ul>
<div class="section" id="restrictions">
-<h2>Restrictions</h2>
+<h2>5.3.1.1. Restrictions</h2>
<p>None.</p>
</div>
</div>
@@ -341,6 +384,15 @@ storage by a single MPI process.</li>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="accelerate_intel.html" class="btn btn-neutral float-right" title="5.3.2. USER-INTEL package" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="Section_accelerate.html" class="btn btn-neutral" title="5. Accelerating LAMMPS performance" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/accelerate_intel.html b/doc/html/accelerate_intel.html
index cc1a7a68b618f3bf857245eadf88812be80886d5..ab85e0023890a8a6937716a0b86a13ea84c166a2 100644
--- a/doc/html/accelerate_intel.html
+++ b/doc/html/accelerate_intel.html
@@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0">
- <title>5.USER-INTEL package — LAMMPS documentation</title>
+ <title>5.3.2. USER-INTEL package — LAMMPS documentation</title>
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="5. Accelerating LAMMPS performance" href="Section_accelerate.html"/>
+ <link rel="next" title="5.3.3. KOKKOS package" href="accelerate_kokkos.html"/>
+ <link rel="prev" title="5.3.1. GPU package" href="accelerate_gpu.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,12 +74,29 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
-<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#measuring-performance">5.1. Measuring performance</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#general-strategies">5.2. General strategies</a></li>
+<li class="toctree-l2 current"><a class="reference internal" href="Section_accelerate.html#packages-with-optimized-styles">5.3. Packages with optimized styles</a><ul class="current">
+<li class="toctree-l3"><a class="reference internal" href="accelerate_gpu.html">5.3.1. GPU package</a></li>
+<li class="toctree-l3 current"><a class="current reference internal" href="#">5.3.2. USER-INTEL package</a><ul>
+<li class="toctree-l4"><a class="reference internal" href="#restrictions">5.3.2.1. Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_kokkos.html">5.3.3. KOKKOS package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_omp.html">5.3.4. USER-OMP package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_opt.html">5.3.5. OPT package</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#comparison-of-various-accelerator-packages">5.4. Comparison of various accelerator packages</a></li>
+</ul>
+</li>
<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
@@ -86,6 +106,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,7 +141,9 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
- <li>5.USER-INTEL package</li>
+ <li><a href="Section_accelerate.html">5. Accelerating LAMMPS performance</a> »</li>
+
+ <li>5.3.2. USER-INTEL package</li>
<li class="wy-breadcrumbs-aside">
@@ -120,13 +154,22 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="accelerate_kokkos.html" class="btn btn-neutral float-right" title="5.3.3. KOKKOS package" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="accelerate_gpu.html" class="btn btn-neutral" title="5.3.1. GPU package" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
<p><a class="reference internal" href="Section_accelerate.html"><span class="doc">Return to Section accelerate overview</span></a></p>
<div class="section" id="user-intel-package">
-<h1>5.USER-INTEL package</h1>
+<h1>5.3.2. USER-INTEL package</h1>
<p>The USER-INTEL package is maintained by Mike Brown at Intel
Corporation. It provides two methods for accelerating simulations,
depending on the hardware you have. The first is acceleration on
@@ -518,7 +561,7 @@ available coprocessor threads on each Phi will be divided among MPI
tasks, unless the <em>tptask</em> option of the “-pk intel” <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">command-line switch</span></a> is used to limit the coprocessor
threads per MPI task.</p>
<div class="section" id="restrictions">
-<h2>Restrictions</h2>
+<h2>5.3.2.1. Restrictions</h2>
<p>When offloading to a coprocessor, <a class="reference internal" href="pair_hybrid.html"><span class="doc">hybrid</span></a> styles
that require skip lists for neighbor builds cannot be offloaded.
Using <a class="reference internal" href="pair_hybrid.html"><span class="doc">hybrid/overlay</span></a> is allowed. Only one intel
@@ -544,6 +587,15 @@ supported.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="accelerate_kokkos.html" class="btn btn-neutral float-right" title="5.3.3. KOKKOS package" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="accelerate_gpu.html" class="btn btn-neutral" title="5.3.1. GPU package" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/accelerate_kokkos.html b/doc/html/accelerate_kokkos.html
index c592745bea6a0eb0e3f37a440cf3992d0bbac64f..61fd4b4dfcdd512a17126398ce845c8a5e935bf6 100644
--- a/doc/html/accelerate_kokkos.html
+++ b/doc/html/accelerate_kokkos.html
@@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0">
- <title>5.KOKKOS package — LAMMPS documentation</title>
+ <title>5.3.3. KOKKOS package — LAMMPS documentation</title>
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="5. Accelerating LAMMPS performance" href="Section_accelerate.html"/>
+ <link rel="next" title="5.3.4. USER-OMP package" href="accelerate_omp.html"/>
+ <link rel="prev" title="5.3.2. USER-INTEL package" href="accelerate_intel.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,12 +74,29 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
-<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#measuring-performance">5.1. Measuring performance</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#general-strategies">5.2. General strategies</a></li>
+<li class="toctree-l2 current"><a class="reference internal" href="Section_accelerate.html#packages-with-optimized-styles">5.3. Packages with optimized styles</a><ul class="current">
+<li class="toctree-l3"><a class="reference internal" href="accelerate_gpu.html">5.3.1. GPU package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_intel.html">5.3.2. USER-INTEL package</a></li>
+<li class="toctree-l3 current"><a class="current reference internal" href="#">5.3.3. KOKKOS package</a><ul>
+<li class="toctree-l4"><a class="reference internal" href="#restrictions">5.3.3.1. Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_omp.html">5.3.4. USER-OMP package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_opt.html">5.3.5. OPT package</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#comparison-of-various-accelerator-packages">5.4. Comparison of various accelerator packages</a></li>
+</ul>
+</li>
<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
@@ -86,6 +106,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,7 +141,9 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
- <li>5.KOKKOS package</li>
+ <li><a href="Section_accelerate.html">5. Accelerating LAMMPS performance</a> »</li>
+
+ <li>5.3.3. KOKKOS package</li>
<li class="wy-breadcrumbs-aside">
@@ -120,13 +154,22 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="accelerate_omp.html" class="btn btn-neutral float-right" title="5.3.4. USER-OMP package" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="accelerate_intel.html" class="btn btn-neutral" title="5.3.2. USER-INTEL package" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
<p><a class="reference internal" href="Section_accelerate.html"><span class="doc">Return to Section accelerate overview</span></a></p>
<div class="section" id="kokkos-package">
-<h1>5.KOKKOS package</h1>
+<h1>5.3.3. KOKKOS package</h1>
<p>The KOKKOS package was developed primarily by Christian Trott (Sandia)
with contributions of various styles by others, including Sikandar
Mashayak (UIUC), Stan Moore (Sandia), and Ray Shan (Sandia). The
@@ -548,7 +591,7 @@ threads/task as Nt. The product of these 2 values should be N, i.e.
the same physical core.</p>
<p>Examples of mpirun commands that follow these rules are shown above.</p>
<div class="section" id="restrictions">
-<h2>Restrictions</h2>
+<h2>5.3.3.1. Restrictions</h2>
<p>As noted above, if using GPUs, the number of MPI tasks per compute
node should equal to the number of GPUs per compute node. In the
future Kokkos will support assigning multiple MPI tasks to a single
@@ -565,6 +608,15 @@ change in the future.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="accelerate_omp.html" class="btn btn-neutral float-right" title="5.3.4. USER-OMP package" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="accelerate_intel.html" class="btn btn-neutral" title="5.3.2. USER-INTEL package" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/accelerate_omp.html b/doc/html/accelerate_omp.html
index 8409d38821eee0a75f8175276a03d623c4d082b6..e317faf9df8868a787b3e31498dcdfcde69b164d 100644
--- a/doc/html/accelerate_omp.html
+++ b/doc/html/accelerate_omp.html
@@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0">
- <title>5.USER-OMP package — LAMMPS documentation</title>
+ <title>5.3.4. USER-OMP package — LAMMPS documentation</title>
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="5. Accelerating LAMMPS performance" href="Section_accelerate.html"/>
+ <link rel="next" title="5.3.5. OPT package" href="accelerate_opt.html"/>
+ <link rel="prev" title="5.3.3. KOKKOS package" href="accelerate_kokkos.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,12 +74,29 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
-<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#measuring-performance">5.1. Measuring performance</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#general-strategies">5.2. General strategies</a></li>
+<li class="toctree-l2 current"><a class="reference internal" href="Section_accelerate.html#packages-with-optimized-styles">5.3. Packages with optimized styles</a><ul class="current">
+<li class="toctree-l3"><a class="reference internal" href="accelerate_gpu.html">5.3.1. GPU package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_intel.html">5.3.2. USER-INTEL package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_kokkos.html">5.3.3. KOKKOS package</a></li>
+<li class="toctree-l3 current"><a class="current reference internal" href="#">5.3.4. USER-OMP package</a><ul>
+<li class="toctree-l4"><a class="reference internal" href="#restrictions">5.3.4.1. Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_opt.html">5.3.5. OPT package</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#comparison-of-various-accelerator-packages">5.4. Comparison of various accelerator packages</a></li>
+</ul>
+</li>
<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
@@ -86,6 +106,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,7 +141,9 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
- <li>5.USER-OMP package</li>
+ <li><a href="Section_accelerate.html">5. Accelerating LAMMPS performance</a> »</li>
+
+ <li>5.3.4. USER-OMP package</li>
<li class="wy-breadcrumbs-aside">
@@ -120,13 +154,22 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="accelerate_opt.html" class="btn btn-neutral float-right" title="5.3.5. OPT package" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="accelerate_kokkos.html" class="btn btn-neutral" title="5.3.3. KOKKOS package" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
<p><a class="reference internal" href="Section_accelerate.html"><span class="doc">Return to Section accelerate overview</span></a></p>
<div class="section" id="user-omp-package">
-<h1>5.USER-OMP package</h1>
+<h1>5.3.4. USER-OMP package</h1>
<p>The USER-OMP package was developed by Axel Kohlmeyer at Temple
University. It provides multi-threaded versions of most pair styles,
nearly all bonded styles (bond, angle, dihedral, improper), several
@@ -267,7 +310,7 @@ one core and thus is likely to be counterproductive. Instead, binding
MPI tasks to a (multi-core) socket, should solve this issue.</li>
</ul>
<div class="section" id="restrictions">
-<h2>Restrictions</h2>
+<h2>5.3.4.1. Restrictions</h2>
<p>None.</p>
</div>
</div>
@@ -277,6 +320,15 @@ MPI tasks to a (multi-core) socket, should solve this issue.</li>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="accelerate_opt.html" class="btn btn-neutral float-right" title="5.3.5. OPT package" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="accelerate_kokkos.html" class="btn btn-neutral" title="5.3.3. KOKKOS package" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/accelerate_opt.html b/doc/html/accelerate_opt.html
index b07be6064d8910cdf1e0844ec2a8a0954b1777e2..5e062070348641705e94f0f251748a926a299443 100644
--- a/doc/html/accelerate_opt.html
+++ b/doc/html/accelerate_opt.html
@@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0">
- <title>5.OPT package — LAMMPS documentation</title>
+ <title>5.3.5. OPT package — LAMMPS documentation</title>
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="5. Accelerating LAMMPS performance" href="Section_accelerate.html"/>
+ <link rel="next" title="6. How-to discussions" href="Section_howto.html"/>
+ <link rel="prev" title="5.3.4. USER-OMP package" href="accelerate_omp.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,12 +74,29 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
-<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#measuring-performance">5.1. Measuring performance</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#general-strategies">5.2. General strategies</a></li>
+<li class="toctree-l2 current"><a class="reference internal" href="Section_accelerate.html#packages-with-optimized-styles">5.3. Packages with optimized styles</a><ul class="current">
+<li class="toctree-l3"><a class="reference internal" href="accelerate_gpu.html">5.3.1. GPU package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_intel.html">5.3.2. USER-INTEL package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_kokkos.html">5.3.3. KOKKOS package</a></li>
+<li class="toctree-l3"><a class="reference internal" href="accelerate_omp.html">5.3.4. USER-OMP package</a></li>
+<li class="toctree-l3 current"><a class="current reference internal" href="#">5.3.5. OPT package</a><ul>
+<li class="toctree-l4"><a class="reference internal" href="#restrictions">5.3.5.1. Restrictions</a></li>
+</ul>
+</li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="Section_accelerate.html#comparison-of-various-accelerator-packages">5.4. Comparison of various accelerator packages</a></li>
+</ul>
+</li>
<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
@@ -86,6 +106,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,7 +141,9 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
- <li>5.OPT package</li>
+ <li><a href="Section_accelerate.html">5. Accelerating LAMMPS performance</a> »</li>
+
+ <li>5.3.5. OPT package</li>
<li class="wy-breadcrumbs-aside">
@@ -120,13 +154,22 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="Section_howto.html" class="btn btn-neutral float-right" title="6. How-to discussions" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="accelerate_omp.html" class="btn btn-neutral" title="5.3.4. USER-OMP package" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
<p><a class="reference internal" href="Section_accelerate.html"><span class="doc">Return to Section accelerate overview</span></a></p>
<div class="section" id="opt-package">
-<h1>5.OPT package</h1>
+<h1>5.3.5. OPT package</h1>
<p>The OPT package was developed by James Fischer (High Performance
Technologies), David Richie, and Vincent Natoli (Stone Ridge
Technologies). It contains a handful of pair styles whose compute()
@@ -169,7 +212,7 @@ of a run. On most machines for reasonable problem sizes, it will be a
<p><strong>Guidelines for best performance:</strong></p>
<p>Just try out an OPT pair style to see how it performs.</p>
<div class="section" id="restrictions">
-<h2>Restrictions</h2>
+<h2>5.3.5.1. Restrictions</h2>
<p>None.</p>
</div>
</div>
@@ -179,6 +222,15 @@ of a run. On most machines for reasonable problem sizes, it will be a
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="Section_howto.html" class="btn btn-neutral float-right" title="6. How-to discussions" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="accelerate_omp.html" class="btn btn-neutral" title="5.3.4. USER-OMP package" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_charmm.html b/doc/html/angle_charmm.html
index 3d6bb4e8cdef05104813fe03964e40881f5a29d7..2e072eb4e72ee82d0f91df671be20a6584f3e4ec 100644
--- a/doc/html/angle_charmm.html
+++ b/doc/html/angle_charmm.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style class2 command" href="angle_class2.html"/>
+ <link rel="prev" title="Angle Styles" href="angles.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-charmm-omp-command">angle_style charmm/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style charmm command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_class2.html" class="btn btn-neutral float-right" title="angle_style class2 command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angles.html" class="btn btn-neutral" title="Angle Styles" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -173,7 +245,7 @@ internally; hence the units of K are in energy/radian^2.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -183,7 +255,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -207,6 +279,15 @@ Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_class2.html" class="btn btn-neutral float-right" title="angle_style class2 command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angles.html" class="btn btn-neutral" title="Angle Styles" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_class2.html b/doc/html/angle_class2.html
index 1b800d6c0df0d18980c6e97eac07a9cfcf442877..ac7b1c7cb04b3971e650a51b4d2ea4b379f4c123 100644
--- a/doc/html/angle_class2.html
+++ b/doc/html/angle_class2.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style cosine command" href="angle_cosine.html"/>
+ <link rel="prev" title="angle_style charmm command" href="angle_charmm.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-class2-omp-command">angle_style class2/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style class2 command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_cosine.html" class="btn btn-neutral float-right" title="angle_style cosine command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_charmm.html" class="btn btn-neutral" title="angle_style charmm command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -197,7 +269,7 @@ same value from the Ea formula.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -207,7 +279,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -231,6 +303,15 @@ for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_cosine.html" class="btn btn-neutral float-right" title="angle_style cosine command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_charmm.html" class="btn btn-neutral" title="angle_style charmm command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_coeff.html b/doc/html/angle_coeff.html
index 3ae8743871648dc81c7d09320629716c23ad3e24..11c2e9a57f111ca794c1608a5a99b0319c780a3c 100644
--- a/doc/html/angle_coeff.html
+++ b/doc/html/angle_coeff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="angle_style command" href="angle_style.html"/>
+ <link rel="prev" title="Commands" href="commands.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_coeff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>angle_coeff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_style.html" class="btn btn-neutral float-right" title="angle_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="commands.html" class="btn btn-neutral" title="Commands" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -219,6 +362,15 @@ set, either in the input script or in a data file.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_style.html" class="btn btn-neutral float-right" title="angle_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="commands.html" class="btn btn-neutral" title="Commands" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_cosine.html b/doc/html/angle_cosine.html
index 6876620bb547cf930facbf24a8963447c952c358..760fa03c354e84ad3ae5c19066047a4ecc55834e 100644
--- a/doc/html/angle_cosine.html
+++ b/doc/html/angle_cosine.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style cosine/delta command" href="angle_cosine_delta.html"/>
+ <link rel="prev" title="angle_style class2 command" href="angle_class2.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-cosine-omp-command">angle_style cosine/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style cosine command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_cosine_delta.html" class="btn btn-neutral float-right" title="angle_style cosine/delta command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_class2.html" class="btn btn-neutral" title="angle_style class2 command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -158,7 +230,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -168,7 +240,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -189,6 +261,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_cosine_delta.html" class="btn btn-neutral float-right" title="angle_style cosine/delta command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_class2.html" class="btn btn-neutral" title="angle_style class2 command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_cosine_delta.html b/doc/html/angle_cosine_delta.html
index fda0b0a0a5ecdacc5947e4fb0270e5e19d83e840..005142027bd5ea10dc5acb87acab4074b70aaf8b 100644
--- a/doc/html/angle_cosine_delta.html
+++ b/doc/html/angle_cosine_delta.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style cosine/periodic command" href="angle_cosine_periodic.html"/>
+ <link rel="prev" title="angle_style cosine command" href="angle_cosine.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style cosine/delta command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_cosine_periodic.html" class="btn btn-neutral float-right" title="angle_style cosine/periodic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_cosine.html" class="btn btn-neutral" title="angle_style cosine command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -162,7 +234,7 @@ internally.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -172,7 +244,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -193,6 +265,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_cosine_periodic.html" class="btn btn-neutral float-right" title="angle_style cosine/periodic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_cosine.html" class="btn btn-neutral" title="angle_style cosine command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_cosine_periodic.html b/doc/html/angle_cosine_periodic.html
index 9851cea9d4f2ac7b78231964d1f89bec9a3653ba..bda64842f7338cb2d3c0637dd55f6e98e50052bf 100644
--- a/doc/html/angle_cosine_periodic.html
+++ b/doc/html/angle_cosine_periodic.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style cosine/shift command" href="angle_cosine_shift.html"/>
+ <link rel="prev" title="angle_style cosine/delta command" href="angle_cosine_delta.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style cosine/periodic command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_cosine_shift.html" class="btn btn-neutral float-right" title="angle_style cosine/shift command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_cosine_delta.html" class="btn btn-neutral" title="angle_style cosine/delta command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -169,7 +241,7 @@ geometry.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -179,7 +251,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -203,6 +275,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_cosine_shift.html" class="btn btn-neutral float-right" title="angle_style cosine/shift command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_cosine_delta.html" class="btn btn-neutral" title="angle_style cosine/delta command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_cosine_shift.html b/doc/html/angle_cosine_shift.html
index 76d4b6dcb455d49a5c5bd9dc17d6341161bffe93..36ccf594b2493e4b33c3f988fd35029dc3f0f74f 100644
--- a/doc/html/angle_cosine_shift.html
+++ b/doc/html/angle_cosine_shift.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style cosine/shift/exp command" href="angle_cosine_shift_exp.html"/>
+ <link rel="prev" title="angle_style cosine/periodic command" href="angle_cosine_periodic.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style cosine/shift command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_cosine_shift_exp.html" class="btn btn-neutral float-right" title="angle_style cosine/shift/exp command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_cosine_periodic.html" class="btn btn-neutral" title="angle_style cosine/periodic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -161,7 +233,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -171,7 +243,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -194,6 +266,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_cosine_shift_exp.html" class="btn btn-neutral float-right" title="angle_style cosine/shift/exp command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_cosine_periodic.html" class="btn btn-neutral" title="angle_style cosine/periodic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_cosine_shift_exp.html b/doc/html/angle_cosine_shift_exp.html
index 2bb957b561bb927c51b61cbf17efd3d0c9657459..6ffe945d739a44d10ed6a6a6d157e48a9ba84721 100644
--- a/doc/html/angle_cosine_shift_exp.html
+++ b/doc/html/angle_cosine_shift_exp.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style cosine/squared command" href="angle_cosine_squared.html"/>
+ <link rel="prev" title="angle_style cosine/shift command" href="angle_cosine_shift.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style cosine/shift/exp command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_cosine_squared.html" class="btn btn-neutral float-right" title="angle_style cosine/squared command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_cosine_shift.html" class="btn btn-neutral" title="angle_style cosine/shift command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -171,7 +243,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -181,7 +253,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -205,6 +277,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_cosine_squared.html" class="btn btn-neutral float-right" title="angle_style cosine/squared command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_cosine_shift.html" class="btn btn-neutral" title="angle_style cosine/shift command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_cosine_squared.html b/doc/html/angle_cosine_squared.html
index e7f0d49193d25e4a829bc422b4180d750f4d2366..b596c890bf0fab5162d50d227b5f2d2e102677bd 100644
--- a/doc/html/angle_cosine_squared.html
+++ b/doc/html/angle_cosine_squared.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style dipole command" href="angle_dipole.html"/>
+ <link rel="prev" title="angle_style cosine/shift/exp command" href="angle_cosine_shift_exp.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style cosine/squared command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_dipole.html" class="btn btn-neutral float-right" title="angle_style dipole command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_cosine_shift_exp.html" class="btn btn-neutral" title="angle_style cosine/shift/exp command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -162,7 +234,7 @@ internally.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -172,7 +244,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -193,6 +265,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_dipole.html" class="btn btn-neutral float-right" title="angle_style dipole command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_cosine_shift_exp.html" class="btn btn-neutral" title="angle_style cosine/shift/exp command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_dipole.html b/doc/html/angle_dipole.html
index 13f560db0e8832d9afaff111e4e5bf9eb68d79bd..525c4178a708d71a235f27a89803fb8b240cf639 100644
--- a/doc/html/angle_dipole.html
+++ b/doc/html/angle_dipole.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style fourier command" href="angle_fourier.html"/>
+ <link rel="prev" title="angle_style cosine/squared command" href="angle_cosine_squared.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-dipole-omp-command">angle_style dipole/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style dipole command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_fourier.html" class="btn btn-neutral float-right" title="angle_style fourier command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_cosine_squared.html" class="btn btn-neutral" title="angle_style cosine/squared command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -182,7 +254,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -192,7 +264,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-6"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<div class="section" id="restrictions">
@@ -232,6 +304,15 @@ Clarendon Press, Oxford, 1987.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_fourier.html" class="btn btn-neutral float-right" title="angle_style fourier command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_cosine_squared.html" class="btn btn-neutral" title="angle_style cosine/squared command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_fourier.html b/doc/html/angle_fourier.html
index c49686daf1258ebe6b04c9843684c7ee7ee9219f..7b6142a4d9675ecb408f44d39b9def5b7c1f70bf 100644
--- a/doc/html/angle_fourier.html
+++ b/doc/html/angle_fourier.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style fourier/simple command" href="angle_fourier_simple.html"/>
+ <link rel="prev" title="angle_style dipole command" href="angle_dipole.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-fourier-omp-command">angle_style fourier/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style fourier command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_fourier_simple.html" class="btn btn-neutral float-right" title="angle_style fourier/simple command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_dipole.html" class="btn btn-neutral" title="angle_style dipole command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -158,7 +230,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -168,7 +240,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -190,6 +262,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_fourier_simple.html" class="btn btn-neutral float-right" title="angle_style fourier/simple command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_dipole.html" class="btn btn-neutral" title="angle_style dipole command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_fourier_simple.html b/doc/html/angle_fourier_simple.html
index 91c3ac4eeb675758a5201a493179e94d9ee5da9c..b3a1a66ca8f08d2da7d27be594b3af2cf6f0834e 100644
--- a/doc/html/angle_fourier_simple.html
+++ b/doc/html/angle_fourier_simple.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style harmonic command" href="angle_harmonic.html"/>
+ <link rel="prev" title="angle_style fourier command" href="angle_fourier.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style fourier/simple command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_harmonic.html" class="btn btn-neutral float-right" title="angle_style harmonic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_fourier.html" class="btn btn-neutral" title="angle_style fourier command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -157,7 +229,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -167,7 +239,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -189,6 +261,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_harmonic.html" class="btn btn-neutral float-right" title="angle_style harmonic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_fourier.html" class="btn btn-neutral" title="angle_style fourier command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_harmonic.html b/doc/html/angle_harmonic.html
index 403ca622ca430c56b23c8297a809fe88b3d669e7..2b00c4b9c557c1d9ad4a09faf862c94f2a9435b3 100644
--- a/doc/html/angle_harmonic.html
+++ b/doc/html/angle_harmonic.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style hybrid command" href="angle_hybrid.html"/>
+ <link rel="prev" title="angle_style fourier/simple command" href="angle_fourier_simple.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style harmonic command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_hybrid.html" class="btn btn-neutral float-right" title="angle_style hybrid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_fourier_simple.html" class="btn btn-neutral" title="angle_style fourier/simple command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -168,7 +240,7 @@ internally; hence the units of K are in energy/radian^2.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -178,7 +250,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -201,6 +273,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_hybrid.html" class="btn btn-neutral float-right" title="angle_style hybrid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_fourier_simple.html" class="btn btn-neutral" title="angle_style fourier/simple command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_hybrid.html b/doc/html/angle_hybrid.html
index da8c39f9f1c7d9097b930b5e30da7c80de03c90c..db4e3b9c8fd0bb7873f8e317ae3b6801c85810bf 100644
--- a/doc/html/angle_hybrid.html
+++ b/doc/html/angle_hybrid.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style none command" href="angle_none.html"/>
+ <link rel="prev" title="angle_style harmonic command" href="angle_harmonic.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style hybrid command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style hybrid command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_none.html" class="btn btn-neutral float-right" title="angle_style none command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_harmonic.html" class="btn btn-neutral" title="angle_style harmonic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -214,6 +286,15 @@ file, you need to re-specify angle_coeff commands.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_none.html" class="btn btn-neutral float-right" title="angle_style none command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_harmonic.html" class="btn btn-neutral" title="angle_style harmonic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_none.html b/doc/html/angle_none.html
index 51cb14149d44901b00a64bbf6a38c886ca1d2b0a..3e6ae3d63933ceeb8b3666208c137400d797a1e2 100644
--- a/doc/html/angle_none.html
+++ b/doc/html/angle_none.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style quartic command" href="angle_quartic.html"/>
+ <link rel="prev" title="angle_style hybrid command" href="angle_hybrid.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style none command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style none command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_quartic.html" class="btn btn-neutral float-right" title="angle_style quartic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_hybrid.html" class="btn btn-neutral" title="angle_style hybrid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -163,6 +235,15 @@ calculate angle statistics, but compute no angle interactions.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_quartic.html" class="btn btn-neutral float-right" title="angle_style quartic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_hybrid.html" class="btn btn-neutral" title="angle_style hybrid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_quartic.html b/doc/html/angle_quartic.html
index 41346014963b46b5cd0e8aa6450347610e5d0cac..531e188cbc183734ba0c7cc40731cbb2c66225c1 100644
--- a/doc/html/angle_quartic.html
+++ b/doc/html/angle_quartic.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style sdk command" href="angle_sdk.html"/>
+ <link rel="prev" title="angle_style none command" href="angle_none.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-quartic-omp-command">angle_style quartic/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style quartic command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_sdk.html" class="btn btn-neutral float-right" title="angle_style sdk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_none.html" class="btn btn-neutral" title="angle_style none command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -164,7 +236,7 @@ internally; hence the units of K are in energy/radian^2.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -174,7 +246,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -196,6 +268,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_sdk.html" class="btn btn-neutral float-right" title="angle_style sdk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_none.html" class="btn btn-neutral" title="angle_style none command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_sdk.html b/doc/html/angle_sdk.html
index d94d31ccf8f90a45f2c7abc45888b09b844cbd33..d7c96443728e4ea1d9f59618f8f6940fce3968fa 100644
--- a/doc/html/angle_sdk.html
+++ b/doc/html/angle_sdk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style table command" href="angle_table.html"/>
+ <link rel="prev" title="angle_style quartic command" href="angle_quartic.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style sdk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style sdk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_table.html" class="btn btn-neutral float-right" title="angle_style table command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_quartic.html" class="btn btn-neutral" title="angle_style quartic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -182,6 +254,15 @@ USER-CG-CMM package. See the <a class="reference internal" href="Section_start.
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_table.html" class="btn btn-neutral float-right" title="angle_style table command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_quartic.html" class="btn btn-neutral" title="angle_style quartic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_style.html b/doc/html/angle_style.html
index 3fe225941feb2524e279135fcf2c496e58689f1e..e1cb0241c2b4e5b74358febff547d25837c0320e 100644
--- a/doc/html/angle_style.html
+++ b/doc/html/angle_style.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="atom_modify command" href="atom_modify.html"/>
+ <link rel="prev" title="angle_coeff command" href="angle_coeff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>angle_style command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="atom_modify.html" class="btn btn-neutral float-right" title="atom_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_coeff.html" class="btn btn-neutral" title="angle_coeff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -218,6 +362,15 @@ angle_style none
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="atom_modify.html" class="btn btn-neutral float-right" title="atom_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_coeff.html" class="btn btn-neutral" title="angle_coeff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_table.html b/doc/html/angle_table.html
index a946a2a7e0100371e62c987c48ea50254f1dc8bf..ab9dc197e73c1bdf8d05b02825d57aada3c755da 100644
--- a/doc/html/angle_table.html
+++ b/doc/html/angle_table.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="angle_style zero command" href="angle_zero.html"/>
+ <link rel="prev" title="angle_style sdk command" href="angle_sdk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#angle-style-table-omp-command">angle_style table/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style table command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_zero.html" class="btn btn-neutral float-right" title="angle_style zero command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_sdk.html" class="btn btn-neutral" title="angle_style sdk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -236,7 +308,7 @@ one that matches the specified keyword.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -246,7 +318,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -267,6 +339,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_zero.html" class="btn btn-neutral float-right" title="angle_style zero command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_sdk.html" class="btn btn-neutral" title="angle_style sdk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angle_zero.html b/doc/html/angle_zero.html
index a22915ceea34af3748f74bbd7013948225da77ab..ef92dcee452bd95fc4bd65b3981559641bc64dcf 100644
--- a/doc/html/angle_zero.html
+++ b/doc/html/angle_zero.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Angle Styles" href="angles.html"/>
+ <link rel="next" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="prev" title="angle_style table command" href="angle_table.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,63 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="angles.html">Angle Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">angle_style zero command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +170,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="angles.html">Angle Styles</a> »</li>
+
<li>angle_style zero command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +183,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedrals.html" class="btn btn-neutral float-right" title="Dihedral Styles" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_table.html" class="btn btn-neutral" title="angle_style table command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -176,6 +248,15 @@ going to be used to assign an equilibrium angle, e.g. for use with
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedrals.html" class="btn btn-neutral float-right" title="Dihedral Styles" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_table.html" class="btn btn-neutral" title="angle_style table command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/angles.html b/doc/html/angles.html
new file mode 100644
index 0000000000000000000000000000000000000000..ba9d4b9aaa848292c0dd9bb15afa4d2790afb828
--- /dev/null
+++ b/doc/html/angles.html
@@ -0,0 +1,304 @@
+
+
+<!DOCTYPE html>
+<!--[if IE 8]><html class="no-js lt-ie9" lang="en" > <![endif]-->
+<!--[if gt IE 8]><!--> <html class="no-js" lang="en" > <!--<![endif]-->
+<head>
+ <meta charset="utf-8">
+
+ <meta name="viewport" content="width=device-width, initial-scale=1.0">
+
+ <title>Angle Styles — LAMMPS documentation</title>
+
+
+
+
+
+
+
+
+
+
+
+
+
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+
+ <link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
+
+
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+ <link rel="stylesheet" href="_static/sphinxcontrib-images/LightBox2/lightbox2/css/lightbox.css" type="text/css" />
+
+
+
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="next" title="angle_style charmm command" href="angle_charmm.html"/>
+ <link rel="prev" title="bond_style zero command" href="bond_zero.html"/>
+
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+ <script src="_static/js/modernizr.min.js"></script>
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+</head>
+
+<body class="wy-body-for-nav" role="document">
+
+ <div class="wy-grid-for-nav">
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+ <div class="wy-side-nav-search">
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+ <a href="Manual.html" class="icon icon-home"> LAMMPS
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+
+
+ </a>
+
+
+<div role="search">
+ <form id="rtd-search-form" class="wy-form" action="search.html" method="get">
+ <input type="text" name="q" placeholder="Search docs" />
+ <input type="hidden" name="check_keywords" value="yes" />
+ <input type="hidden" name="area" value="default" />
+ </form>
+</div>
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+ </div>
+
+ <div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="main navigation">
+
+
+
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_tools.html">9. Additional tools</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying & extending LAMMPS</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
+</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1 current"><a class="current reference internal" href="#">Angle Styles</a><ul>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
+
+
+
+ </div>
+
+ </nav>
+
+ <section data-toggle="wy-nav-shift" class="wy-nav-content-wrap">
+
+
+ <nav class="wy-nav-top" role="navigation" aria-label="top navigation">
+ <i data-toggle="wy-nav-top" class="fa fa-bars"></i>
+ <a href="Manual.html">LAMMPS</a>
+ </nav>
+
+
+
+ <div class="wy-nav-content">
+ <div class="rst-content">
+ <div role="navigation" aria-label="breadcrumbs navigation">
+ <ul class="wy-breadcrumbs">
+ <li><a href="Manual.html">Docs</a> »</li>
+
+ <li>Angle Styles</li>
+ <li class="wy-breadcrumbs-aside">
+
+
+ <a href="http://lammps.sandia.gov">Website</a>
+ <a href="Section_commands.html#comm">Commands</a>
+
+ </li>
+ </ul>
+ <hr/>
+
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_charmm.html" class="btn btn-neutral float-right" title="angle_style charmm command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_zero.html" class="btn btn-neutral" title="bond_style zero command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
+</div>
+ <div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
+ <div itemprop="articleBody">
+
+ <div class="section" id="angle-styles">
+<h1>Angle Styles</h1>
+<div class="toctree-wrapper compound">
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="angle_charmm.html">angle_style charmm command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-intel-command">angle_style charmm/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-kk-command">angle_style charmm/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_charmm.html#angle-style-charmm-omp-command">angle_style charmm/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_class2.html">angle_style class2 command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_class2.html#angle-style-class2-omp-command">angle_style class2/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_cosine.html">angle_style cosine command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_cosine.html#angle-style-cosine-omp-command">angle_style cosine/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_cosine_delta.html">angle_style cosine/delta command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_cosine_delta.html#angle-style-cosine-delta-omp-command">angle_style cosine/delta/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_cosine_periodic.html">angle_style cosine/periodic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_cosine_periodic.html#angle-style-cosine-periodic-omp-command">angle_style cosine/periodic/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_cosine_shift.html">angle_style cosine/shift command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_cosine_shift.html#angle-style-cosine-shift-omp-command">angle_style cosine/shift/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_cosine_shift_exp.html">angle_style cosine/shift/exp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_cosine_shift_exp.html#angle-style-cosine-shift-exp-omp-command">angle_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_cosine_squared.html">angle_style cosine/squared command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_cosine_squared.html#angle-style-cosine-squared-omp-command">angle_style cosine/squared/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_dipole.html">angle_style dipole command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_dipole.html#angle-style-dipole-omp-command">angle_style dipole/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_fourier.html">angle_style fourier command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_fourier.html#angle-style-fourier-omp-command">angle_style fourier/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_fourier_simple.html">angle_style fourier/simple command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_fourier_simple.html#angle-style-fourier-simple-omp-command">angle_style fourier/simple/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_harmonic.html">angle_style harmonic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-intel-command">angle_style harmonic/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-kk-command">angle_style harmonic/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_harmonic.html#angle-style-harmonic-omp-command">angle_style harmonic/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_hybrid.html">angle_style hybrid command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_none.html">angle_style none command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_quartic.html">angle_style quartic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_quartic.html#angle-style-quartic-omp-command">angle_style quartic/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_sdk.html">angle_style sdk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_table.html">angle_style table command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_table.html#angle-style-table-omp-command">angle_style table/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_zero.html">angle_style zero command</a></li>
+</ul>
+</div>
+</div>
+
+
+ </div>
+ </div>
+ <footer>
+
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_charmm.html" class="btn btn-neutral float-right" title="angle_style charmm command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_zero.html" class="btn btn-neutral" title="bond_style zero command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
+
+ <hr/>
+
+ <div role="contentinfo">
+ <p>
+ © Copyright 2013 Sandia Corporation.
+ </p>
+ </div>
+ Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a <a href="https://github.com/snide/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>.
+
+</footer>
+
+ </div>
+ </div>
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+ </section>
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+ </div>
+
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+ <script type="text/javascript">
+ var DOCUMENTATION_OPTIONS = {
+ URL_ROOT:'./',
+ VERSION:'',
+ COLLAPSE_INDEX:false,
+ FILE_SUFFIX:'.html',
+ HAS_SOURCE: true
+ };
+ </script>
+ <script type="text/javascript" src="_static/jquery.js"></script>
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+ <script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2-customize/jquery-noconflict.js"></script>
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+</html>
\ No newline at end of file
diff --git a/doc/html/atom_modify.html b/doc/html/atom_modify.html
index 0922591416e7bcf6729ad880eb6d12763ce9e0ad..cf7d1435b507c38eecd21a314f896cd2d3afd82e 100644
--- a/doc/html/atom_modify.html
+++ b/doc/html/atom_modify.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="atom_style command" href="atom_style.html"/>
+ <link rel="prev" title="angle_style command" href="angle_style.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">atom_modify command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>atom_modify command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="atom_style.html" class="btn btn-neutral float-right" title="atom_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_style.html" class="btn btn-neutral" title="angle_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,10 +274,10 @@
<pre class="literal-block">
atom_modify keyword values ...
</pre>
-<ul class="simple">
-<li>one or more keyword/value pairs may be appended</li>
-<li>keyword = <em>id</em> or <em>map</em> or <em>first</em> or <em>sort</em></li>
-</ul>
+<ul>
+<li><p class="first">one or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>id</em> or <em>map</em> or <em>first</em> or <em>sort</em></p>
<pre class="literal-block">
<em>id</em> value = <em>yes</em> or <em>no</em>
<em>map</em> value = <em>array</em> or <em>hash</em>
@@ -143,6 +286,8 @@ atom_modify keyword values ...
Nfreq = sort atoms spatially every this many time steps
binsize = bin size for spatial sorting (distance units)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -283,6 +428,15 @@ cutoff will be used to set the bin size.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="atom_style.html" class="btn btn-neutral float-right" title="atom_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="angle_style.html" class="btn btn-neutral" title="angle_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/atom_style.html b/doc/html/atom_style.html
index a2cbd22a729f3a0c51d10ea03f6932d4f49d4438..63fb1a416df791eb054be54ef9eab241fe85ebc1 100644
--- a/doc/html/atom_style.html
+++ b/doc/html/atom_style.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="balance command" href="balance.html"/>
+ <link rel="prev" title="atom_modify command" href="atom_modify.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">atom_style command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>atom_style command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="balance.html" class="btn btn-neutral float-right" title="balance command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="atom_modify.html" class="btn btn-neutral" title="atom_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,9 +275,8 @@
<pre class="literal-block">
atom_style style args
</pre>
-<ul class="simple">
-<li>style = <em>angle</em> or <em>atomic</em> or <em>body</em> or <em>bond</em> or <em>charge</em> or <em>dipole</em> or <em>dpd</em> or <em>electron</em> or <em>ellipsoid</em> or <em>full</em> or <em>line</em> or <em>meso</em> or <em>molecular</em> or <em>peri</em> or <em>smd</em> or <em>sphere</em> or <em>tri</em> or <em>template</em> or <em>hybrid</em></li>
-</ul>
+<ul>
+<li><p class="first">style = <em>angle</em> or <em>atomic</em> or <em>body</em> or <em>bond</em> or <em>charge</em> or <em>dipole</em> or <em>dpd</em> or <em>electron</em> or <em>ellipsoid</em> or <em>full</em> or <em>line</em> or <em>meso</em> or <em>molecular</em> or <em>peri</em> or <em>smd</em> or <em>sphere</em> or <em>tri</em> or <em>template</em> or <em>hybrid</em></p>
<pre class="literal-block">
args = none for any style except the following
<em>body</em> args = bstyle bstyle-args
@@ -144,8 +287,9 @@ args = none for any style except the following
template-ID = ID of molecule template specified in a separate <a class="reference internal" href="molecule.html"><span class="doc">molecule</span></a> command
<em>hybrid</em> args = list of one or more sub-styles, each with their args
</pre>
-<ul class="simple">
-<li>accelerated styles (with same args) = <em>angle/kk</em> or <em>atomic/kk</em> or <em>bond/kk</em> or <em>charge/kk</em> or <em>full/kk</em> or <em>molecular/kk</em></li>
+</li>
+<li><p class="first">accelerated styles (with same args) = <em>angle/kk</em> or <em>atomic/kk</em> or <em>bond/kk</em> or <em>charge/kk</em> or <em>full/kk</em> or <em>molecular/kk</em></p>
+</li>
</ul>
</div>
<div class="section" id="examples">
@@ -283,7 +427,7 @@ output the custom values.</p>
</div>
<p>All of the above styles define point particles, except the <em>sphere</em>,
<em>ellipsoid</em>, <em>electron</em>, <em>peri</em>, <em>wavepacket</em>, <em>line</em>, <em>tri</em>, and
-<em>body</em> styles, which define finite-size particles. See <a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section_howto 14</span></a> for an overview of using finite-size
+<em>body</em> styles, which define finite-size particles. See <a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section 6.14</span></a> for an overview of using finite-size
particle models with LAMMPS.</p>
<p>All of the point-particle styles assign mass to particles on a
per-type basis, using the <a class="reference internal" href="mass.html"><span class="doc">mass</span></a> command, The finite-size
@@ -395,7 +539,7 @@ styles; see <a class="reference internal" href="Section_modify.html"><span class
<p>Styles with a <em>kk</em> suffix are functionally the same as the
corresponding style without the suffix. They have been optimized to
run faster, depending on your available hardware, as discussed in
-<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual. The
+<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual. The
accelerated styles take the same arguments and should produce the same
results, except for round-off and precision issues.</p>
<p>Note that other acceleration packages in LAMMPS, specifically the GPU,
@@ -406,7 +550,7 @@ enabled if LAMMPS was built with those packages. See the <a class="reference in
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<div class="section" id="restrictions">
@@ -447,6 +591,15 @@ hydrodyanmics (SPH). See <a class="reference external" href="USER/sph/SPH_LAMMP
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="balance.html" class="btn btn-neutral float-right" title="balance command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="atom_modify.html" class="btn btn-neutral" title="atom_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/balance.html b/doc/html/balance.html
index e2b55b086bcf2997481c3b939ef9e452809946ce..53cb5e330085cf331df9aa2c075bbd0fe7878252 100644
--- a/doc/html/balance.html
+++ b/doc/html/balance.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="bond_coeff command" href="bond_coeff.html"/>
+ <link rel="prev" title="atom_style command" href="atom_style.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">balance command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>balance command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_coeff.html" class="btn btn-neutral float-right" title="bond_coeff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="atom_style.html" class="btn btn-neutral" title="atom_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,11 +274,12 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">balance</span> <span class="n">thresh</span> <span class="n">style</span> <span class="n">args</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>thresh = imbalance threshhold that must be exceeded to perform a re-balance</li>
-<li>one style/arg pair can be used (or multiple for <em>x</em>,<em>y</em>,<em>z</em>)</li>
-<li>style = <em>x</em> or <em>y</em> or <em>z</em> or <em>shift</em> or <em>rcb</em></li>
-</ul>
+<ul>
+<li><p class="first">thresh = imbalance threshhold that must be exceeded to perform a re-balance</p>
+</li>
+<li><p class="first">one style/arg pair can be used (or multiple for <em>x</em>,<em>y</em>,<em>z</em>)</p>
+</li>
+<li><p class="first">style = <em>x</em> or <em>y</em> or <em>z</em> or <em>shift</em> or <em>rcb</em></p>
<pre class="literal-block">
<em>x</em> args = <em>uniform</em> or Px-1 numbers between 0 and 1
<em>uniform</em> = evenly spaced cuts between processors in x dimension
@@ -155,14 +299,16 @@
stopthresh = stop balancing when this imbalance threshhold is reached
<em>rcb</em> args = none
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>out</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>out</em></p>
<pre class="literal-block">
<em>out</em> value = filename
filename = write each processor's sub-domain to a file
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -270,7 +416,7 @@ has been applied.</p>
title=""
data-title=""
><img src="_images/balance_uniform.jpg"
- class="align-center"
+ class=""
width="25%"
height="auto"
alt=""/>
@@ -280,7 +426,7 @@ has been applied.</p>
title=""
data-title=""
><img src="_images/balance_nonuniform.jpg"
- class="align-center"
+ class=""
width="25%"
height="auto"
alt=""/>
@@ -290,7 +436,7 @@ has been applied.</p>
title=""
data-title=""
><img src="_images/balance_rcb.jpg"
- class="align-center"
+ class=""
width="25%"
height="auto"
alt=""/>
@@ -482,6 +628,15 @@ appear in <em>dimstr</em> for the <em>shift</em> style.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_coeff.html" class="btn btn-neutral float-right" title="bond_coeff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="atom_style.html" class="btn btn-neutral" title="atom_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/body.html b/doc/html/body.html
index 5aaa8ec563d37452aa6deb549185166fbffc6922..9fc15e3535407f9921693a0ed03a3649a91ac203 100644
--- a/doc/html/body.html
+++ b/doc/html/body.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Tutorials" href="tutorials.html"/>
+ <link rel="next" title="Manifolds (surfacse)" href="manifolds.html"/>
+ <link rel="prev" title="LAMMPS GitHub tutorial" href="tutorial_github.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,24 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1 current"><a class="reference internal" href="tutorials.html">Tutorials</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="tutorial_drude.html">Tutorial for Thermalized Drude oscillators in LAMMPS</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tutorial_github.html">LAMMPS GitHub tutorial</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">Body particles</a></li>
+<li class="toctree-l2"><a class="reference internal" href="manifolds.html">Manifolds (surfacse)</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +131,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="tutorials.html">Tutorials</a> »</li>
+
<li>Body particles</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +144,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="manifolds.html" class="btn btn-neutral float-right" title="Manifolds (surfacse)" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="tutorial_github.html" class="btn btn-neutral" title="LAMMPS GitHub tutorial" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -134,8 +167,8 @@ surface meshes of discrete points, collections of sub-particles,
deformable objects, etc. Note that other kinds of finite-size
spherical and aspherical particles are also supported by LAMMPS, such
as spheres, ellipsoids, line segments, and triangles, but they are
-simpler entities that body particles. See <a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section_howto 14</span></a> for a general overview of all these
-particle types.</p>
+simpler entities that body particles. See <a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section 6.14</span></a> for a general overview of all
+these particle types.</p>
<p>Body particles are used via the <a class="reference internal" href="atom_style.html"><span class="doc">atom_style body</span></a>
command. It takes a body style as an argument. The current body
styles supported by LAMMPS are as follows. The name in the first
@@ -163,7 +196,7 @@ style are described below.</p>
<p class="last">The rounded/polygon style listed in the table above and
described below has not yet been relesed in LAMMPS. It will be soon.</p>
</div>
-<p>We hope to add more styles in the future. See <a class="reference internal" href="Section_modify.html#mod-12"><span class="std std-ref">Section_modify 12</span></a> for details on how to add a new body
+<p>We hope to add more styles in the future. See <a class="reference internal" href="Section_modify.html#mod-12"><span class="std std-ref">Section 10.12</span></a> for details on how to add a new body
style to the code.</p>
<hr class="docutils" />
<p><strong>When to use body particles:</strong></p>
@@ -398,6 +431,15 @@ Particuology, 6, 455 (2008).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="manifolds.html" class="btn btn-neutral float-right" title="Manifolds (surfacse)" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="tutorial_github.html" class="btn btn-neutral" title="LAMMPS GitHub tutorial" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_class2.html b/doc/html/bond_class2.html
index dad9e1dba983175be8001b538951a77229be10fe..2d817564065c885e46218b1f7546357777123d45 100644
--- a/doc/html/bond_class2.html
+++ b/doc/html/bond_class2.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Bond Styles" href="bonds.html"/>
+ <link rel="next" title="bond_style fene command" href="bond_fene.html"/>
+ <link rel="prev" title="Bond Styles" href="bonds.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,54 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="bonds.html">Bond Styles</a><ul class="current">
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#bond-style-class2-omp-command">bond_style class2/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html">bond_style fene command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-omp-command">bond_style fene/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html">bond_style fene/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html">bond_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html">bond_style harmonic/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_hybrid.html">bond_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html">bond_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html#bond-style-morse-omp-command">bond_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_none.html">bond_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html">bond_style nonlinear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html">bond_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html#bond-style-quartic-omp-command">bond_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html">bond_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html#bond-style-table-omp-command">bond_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_zero.html">bond_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +161,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="bonds.html">Bond Styles</a> »</li>
+
<li>bond_style class2 command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +174,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_fene.html" class="btn btn-neutral float-right" title="bond_style fene command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bonds.html" class="btn btn-neutral" title="Bond Styles" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -162,7 +225,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -172,7 +235,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -196,6 +259,15 @@ for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_fene.html" class="btn btn-neutral float-right" title="bond_style fene command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bonds.html" class="btn btn-neutral" title="Bond Styles" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_coeff.html b/doc/html/bond_coeff.html
index 3859141ce8517758039a2dcaff163e15bdd78b1d..0aeccf989a7e0f24d03ed0363b9d9543a47d1f64 100644
--- a/doc/html/bond_coeff.html
+++ b/doc/html/bond_coeff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="bond_style command" href="bond_style.html"/>
+ <link rel="prev" title="balance command" href="balance.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_coeff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>bond_coeff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_style.html" class="btn btn-neutral float-right" title="bond_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="balance.html" class="btn btn-neutral" title="balance command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -216,6 +359,15 @@ either in the input script or in a data file.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_style.html" class="btn btn-neutral float-right" title="bond_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="balance.html" class="btn btn-neutral" title="balance command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_fene.html b/doc/html/bond_fene.html
index d836487156418ad2f76e52243489e19135dd87de..af255f4e69d9dfc60c83d35dc49c127bd1f1e9e5 100644
--- a/doc/html/bond_fene.html
+++ b/doc/html/bond_fene.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Bond Styles" href="bonds.html"/>
+ <link rel="next" title="bond_style fene/expand command" href="bond_fene_expand.html"/>
+ <link rel="prev" title="bond_style class2 command" href="bond_class2.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,54 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="bonds.html">Bond Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html">bond_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html#bond-style-class2-omp-command">bond_style class2/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_style fene command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#bond-style-fene-omp-command">bond_style fene/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html">bond_style fene/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html">bond_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html">bond_style harmonic/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_hybrid.html">bond_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html">bond_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html#bond-style-morse-omp-command">bond_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_none.html">bond_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html">bond_style nonlinear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html">bond_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html#bond-style-quartic-omp-command">bond_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html">bond_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html#bond-style-table-omp-command">bond_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_zero.html">bond_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +161,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="bonds.html">Bond Styles</a> »</li>
+
<li>bond_style fene command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +174,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_fene_expand.html" class="btn btn-neutral float-right" title="bond_style fene/expand command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_class2.html" class="btn btn-neutral" title="bond_style class2 command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -171,7 +234,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -181,7 +244,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -207,6 +270,15 @@ style. LAMMPS will issue a warning it that’s not the case.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_fene_expand.html" class="btn btn-neutral float-right" title="bond_style fene/expand command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_class2.html" class="btn btn-neutral" title="bond_style class2 command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_fene_expand.html b/doc/html/bond_fene_expand.html
index 577a4cde04576cf1e307d43a21c0a0ebbe5b6435..d3663f457d6f770a290f12fde4ebf97ef1cefdc4 100644
--- a/doc/html/bond_fene_expand.html
+++ b/doc/html/bond_fene_expand.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Bond Styles" href="bonds.html"/>
+ <link rel="next" title="bond_style harmonic command" href="bond_harmonic.html"/>
+ <link rel="prev" title="bond_style fene command" href="bond_fene.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,54 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="bonds.html">Bond Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html">bond_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html#bond-style-class2-omp-command">bond_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html">bond_style fene command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-omp-command">bond_style fene/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_style fene/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html">bond_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html">bond_style harmonic/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_hybrid.html">bond_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html">bond_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html#bond-style-morse-omp-command">bond_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_none.html">bond_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html">bond_style nonlinear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html">bond_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html#bond-style-quartic-omp-command">bond_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html">bond_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html#bond-style-table-omp-command">bond_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_zero.html">bond_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +161,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="bonds.html">Bond Styles</a> »</li>
+
<li>bond_style fene/expand command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +174,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_harmonic.html" class="btn btn-neutral float-right" title="bond_style harmonic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_fene.html" class="btn btn-neutral" title="bond_style fene command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -169,7 +232,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -179,7 +242,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -205,6 +268,15 @@ style. LAMMPS will issue a warning it that’s not the case.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_harmonic.html" class="btn btn-neutral float-right" title="bond_style harmonic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_fene.html" class="btn btn-neutral" title="bond_style fene command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_harmonic.html b/doc/html/bond_harmonic.html
index fc22160d18a42cda281efa5e3e83042a34712f76..27ab5b5671d5bc125bd0fee4056f98f7f60a2359 100644
--- a/doc/html/bond_harmonic.html
+++ b/doc/html/bond_harmonic.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Bond Styles" href="bonds.html"/>
+ <link rel="next" title="bond_style harmonic/shift command" href="bond_harmonic_shift.html"/>
+ <link rel="prev" title="bond_style fene/expand command" href="bond_fene_expand.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,54 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="bonds.html">Bond Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html">bond_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html#bond-style-class2-omp-command">bond_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html">bond_style fene command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-omp-command">bond_style fene/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html">bond_style fene/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html">bond_style harmonic/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_hybrid.html">bond_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html">bond_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html#bond-style-morse-omp-command">bond_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_none.html">bond_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html">bond_style nonlinear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html">bond_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html#bond-style-quartic-omp-command">bond_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html">bond_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html#bond-style-table-omp-command">bond_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_zero.html">bond_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +161,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="bonds.html">Bond Styles</a> »</li>
+
<li>bond_style harmonic command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +174,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_harmonic_shift.html" class="btn btn-neutral float-right" title="bond_style harmonic/shift command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_fene_expand.html" class="btn btn-neutral" title="bond_style fene/expand command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -166,7 +229,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -176,7 +239,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -197,6 +260,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_harmonic_shift.html" class="btn btn-neutral float-right" title="bond_style harmonic/shift command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_fene_expand.html" class="btn btn-neutral" title="bond_style fene/expand command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_harmonic_shift.html b/doc/html/bond_harmonic_shift.html
index 4ab86dc3165c664c187ee945953186e2dfac3d75..d206b3ea03aaff21206167b48c525993e3ee25bf 100644
--- a/doc/html/bond_harmonic_shift.html
+++ b/doc/html/bond_harmonic_shift.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Bond Styles" href="bonds.html"/>
+ <link rel="next" title="bond_style harmonic/shift/cut command" href="bond_harmonic_shift_cut.html"/>
+ <link rel="prev" title="bond_style harmonic command" href="bond_harmonic.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,54 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="bonds.html">Bond Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html">bond_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html#bond-style-class2-omp-command">bond_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html">bond_style fene command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-omp-command">bond_style fene/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html">bond_style fene/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html">bond_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_style harmonic/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_hybrid.html">bond_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html">bond_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html#bond-style-morse-omp-command">bond_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_none.html">bond_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html">bond_style nonlinear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html">bond_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html#bond-style-quartic-omp-command">bond_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html">bond_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html#bond-style-table-omp-command">bond_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_zero.html">bond_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +161,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="bonds.html">Bond Styles</a> »</li>
+
<li>bond_style harmonic/shift command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +174,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_harmonic_shift_cut.html" class="btn btn-neutral float-right" title="bond_style harmonic/shift/cut command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_harmonic.html" class="btn btn-neutral" title="bond_style harmonic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -163,7 +226,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -173,7 +236,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -196,6 +259,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_harmonic_shift_cut.html" class="btn btn-neutral float-right" title="bond_style harmonic/shift/cut command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_harmonic.html" class="btn btn-neutral" title="bond_style harmonic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_harmonic_shift_cut.html b/doc/html/bond_harmonic_shift_cut.html
index 121eda2221e1d7885e6c6372dc77326419033935..7e27b47fc013e056e9bbc8797d906a724594f28d 100644
--- a/doc/html/bond_harmonic_shift_cut.html
+++ b/doc/html/bond_harmonic_shift_cut.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Bond Styles" href="bonds.html"/>
+ <link rel="next" title="bond_style hybrid command" href="bond_hybrid.html"/>
+ <link rel="prev" title="bond_style harmonic/shift command" href="bond_harmonic_shift.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,54 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="bonds.html">Bond Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html">bond_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html#bond-style-class2-omp-command">bond_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html">bond_style fene command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-omp-command">bond_style fene/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html">bond_style fene/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html">bond_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html">bond_style harmonic/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_hybrid.html">bond_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html">bond_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html#bond-style-morse-omp-command">bond_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_none.html">bond_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html">bond_style nonlinear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html">bond_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html#bond-style-quartic-omp-command">bond_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html">bond_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html#bond-style-table-omp-command">bond_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_zero.html">bond_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +161,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="bonds.html">Bond Styles</a> »</li>
+
<li>bond_style harmonic/shift/cut command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +174,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_hybrid.html" class="btn btn-neutral float-right" title="bond_style hybrid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_harmonic_shift.html" class="btn btn-neutral" title="bond_style harmonic/shift command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -163,7 +226,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -173,7 +236,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -197,6 +260,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_hybrid.html" class="btn btn-neutral float-right" title="bond_style hybrid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_harmonic_shift.html" class="btn btn-neutral" title="bond_style harmonic/shift command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_hybrid.html b/doc/html/bond_hybrid.html
index 2b7b99ece6c04e80d84fae853ef7a71b2853263c..7980b96903c5d286604d8f363e4b475c24c03d53 100644
--- a/doc/html/bond_hybrid.html
+++ b/doc/html/bond_hybrid.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Bonds" href="bonds.html"/>
+ <link rel="next" title="bond_style morse command" href="bond_morse.html"/>
+ <link rel="prev" title="bond_style harmonic/shift/cut command" href="bond_harmonic_shift_cut.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,54 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="bonds.html">Bonds</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html">bond_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html#bond-style-class2-omp-command">bond_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html">bond_style fene command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-omp-command">bond_style fene/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html">bond_style fene/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html">bond_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html">bond_style harmonic/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_style hybrid command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html">bond_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html#bond-style-morse-omp-command">bond_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_none.html">bond_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html">bond_style nonlinear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html">bond_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html#bond-style-quartic-omp-command">bond_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html">bond_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html#bond-style-table-omp-command">bond_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_zero.html">bond_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +161,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="bonds.html">Bonds</a> »</li>
+
<li>bond_style hybrid command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +174,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_morse.html" class="btn btn-neutral float-right" title="bond_style morse command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_harmonic_shift_cut.html" class="btn btn-neutral" title="bond_style harmonic/shift/cut command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -197,6 +260,15 @@ file, you need to re-specify bond_coeff commands.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_morse.html" class="btn btn-neutral float-right" title="bond_style morse command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_harmonic_shift_cut.html" class="btn btn-neutral" title="bond_style harmonic/shift/cut command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_morse.html b/doc/html/bond_morse.html
index 42794978e32fa6623e7c4e123d0857a65055cfb9..4d521b0fc1c2c91d466699e0d643e771138f78ba 100644
--- a/doc/html/bond_morse.html
+++ b/doc/html/bond_morse.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Bond Styles" href="bonds.html"/>
+ <link rel="next" title="bond_style none command" href="bond_none.html"/>
+ <link rel="prev" title="bond_style hybrid command" href="bond_hybrid.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,54 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="bonds.html">Bond Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html">bond_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html#bond-style-class2-omp-command">bond_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html">bond_style fene command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-omp-command">bond_style fene/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html">bond_style fene/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html">bond_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html">bond_style harmonic/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_hybrid.html">bond_style hybrid command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#bond-style-morse-omp-command">bond_style morse/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_none.html">bond_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html">bond_style nonlinear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html">bond_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html#bond-style-quartic-omp-command">bond_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html">bond_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html#bond-style-table-omp-command">bond_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_zero.html">bond_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +161,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="bonds.html">Bond Styles</a> »</li>
+
<li>bond_style morse command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +174,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_none.html" class="btn btn-neutral float-right" title="bond_style none command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_hybrid.html" class="btn btn-neutral" title="bond_style hybrid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -161,7 +224,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -171,7 +234,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -192,6 +255,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_none.html" class="btn btn-neutral float-right" title="bond_style none command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_hybrid.html" class="btn btn-neutral" title="bond_style hybrid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_none.html b/doc/html/bond_none.html
index a7befee4b4e6b297a11b017c99a5d71a246b10e1..7d86bcbadee590e8fd9e2f55a8728dd2831acd72 100644
--- a/doc/html/bond_none.html
+++ b/doc/html/bond_none.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Bonds" href="bonds.html"/>
+ <link rel="next" title="bond_style nonlinear command" href="bond_nonlinear.html"/>
+ <link rel="prev" title="bond_style morse command" href="bond_morse.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,53 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="bonds.html">Bonds</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html">bond_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html#bond-style-class2-omp-command">bond_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html">bond_style fene command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-omp-command">bond_style fene/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html">bond_style fene/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html">bond_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html">bond_style harmonic/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_hybrid.html">bond_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html">bond_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html#bond-style-morse-omp-command">bond_style morse/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_style none command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html">bond_style nonlinear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html">bond_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html#bond-style-quartic-omp-command">bond_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html">bond_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html#bond-style-table-omp-command">bond_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_zero.html">bond_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +160,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="bonds.html">Bonds</a> »</li>
+
<li>bond_style none command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +173,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_nonlinear.html" class="btn btn-neutral float-right" title="bond_style nonlinear command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_morse.html" class="btn btn-neutral" title="bond_style morse command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -161,6 +223,15 @@ calculate bond statistics, but compute no bond interactions.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_nonlinear.html" class="btn btn-neutral float-right" title="bond_style nonlinear command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_morse.html" class="btn btn-neutral" title="bond_style morse command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_nonlinear.html b/doc/html/bond_nonlinear.html
index ad8a574f8276a1a75b20ca2d2199ae9693b31850..f0683dd0bcfb1e27dc2028bfe1eab37c358c7261 100644
--- a/doc/html/bond_nonlinear.html
+++ b/doc/html/bond_nonlinear.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Bond Styles" href="bonds.html"/>
+ <link rel="next" title="bond_style quartic command" href="bond_quartic.html"/>
+ <link rel="prev" title="bond_style none command" href="bond_none.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,54 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="bonds.html">Bond Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html">bond_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html#bond-style-class2-omp-command">bond_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html">bond_style fene command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-omp-command">bond_style fene/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html">bond_style fene/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html">bond_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html">bond_style harmonic/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_hybrid.html">bond_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html">bond_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html#bond-style-morse-omp-command">bond_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_none.html">bond_style none command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_style nonlinear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html">bond_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html#bond-style-quartic-omp-command">bond_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html">bond_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html#bond-style-table-omp-command">bond_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_zero.html">bond_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +161,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="bonds.html">Bond Styles</a> »</li>
+
<li>bond_style nonlinear command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +174,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_quartic.html" class="btn btn-neutral float-right" title="bond_style quartic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_none.html" class="btn btn-neutral" title="bond_style none command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -161,7 +224,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -171,7 +234,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -194,6 +257,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_quartic.html" class="btn btn-neutral float-right" title="bond_style quartic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_none.html" class="btn btn-neutral" title="bond_style none command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_quartic.html b/doc/html/bond_quartic.html
index 290a9f8055692161696de3e5272810c289d7c233..8f92e7203193df7b3adee45e4b1d72c9271a2da8 100644
--- a/doc/html/bond_quartic.html
+++ b/doc/html/bond_quartic.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Bond Styles" href="bonds.html"/>
+ <link rel="next" title="bond_style table command" href="bond_table.html"/>
+ <link rel="prev" title="bond_style nonlinear command" href="bond_nonlinear.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,54 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="bonds.html">Bond Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html">bond_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html#bond-style-class2-omp-command">bond_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html">bond_style fene command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-omp-command">bond_style fene/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html">bond_style fene/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html">bond_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html">bond_style harmonic/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_hybrid.html">bond_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html">bond_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html#bond-style-morse-omp-command">bond_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_none.html">bond_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html">bond_style nonlinear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#bond-style-quartic-omp-command">bond_style quartic/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html">bond_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html#bond-style-table-omp-command">bond_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_zero.html">bond_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +161,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="bonds.html">Bond Styles</a> »</li>
+
<li>bond_style quartic command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +174,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_table.html" class="btn btn-neutral float-right" title="bond_style table command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_nonlinear.html" class="btn btn-neutral" title="bond_style nonlinear command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -192,7 +255,7 @@ delete_bonds all bond 0 remove
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -202,7 +265,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -226,6 +289,15 @@ dihedral, etc) cannot be used with <em>quartic</em> bonds.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_table.html" class="btn btn-neutral float-right" title="bond_style table command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_nonlinear.html" class="btn btn-neutral" title="bond_style nonlinear command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_style.html b/doc/html/bond_style.html
index 2f04d0d0e27738473a7c994c14d491301da3dc38..f9b4b48e8298df4b8d7c5b3ca1ca5318f824b1b1 100644
--- a/doc/html/bond_style.html
+++ b/doc/html/bond_style.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="bond_write command" href="bond_write.html"/>
+ <link rel="prev" title="bond_coeff command" href="bond_coeff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_style command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>bond_style command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_write.html" class="btn btn-neutral float-right" title="bond_write command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_coeff.html" class="btn btn-neutral" title="bond_coeff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -226,6 +370,15 @@ package.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_write.html" class="btn btn-neutral float-right" title="bond_write command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_coeff.html" class="btn btn-neutral" title="bond_coeff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_table.html b/doc/html/bond_table.html
index f2c77ef4645d195e16cd18c819637bd6baf8bbd9..ce426d99df3cdf1fafd2ba813fad4ec82db27b7b 100644
--- a/doc/html/bond_table.html
+++ b/doc/html/bond_table.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Bonds" href="bonds.html"/>
+ <link rel="next" title="bond_style zero command" href="bond_zero.html"/>
+ <link rel="prev" title="bond_style quartic command" href="bond_quartic.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,54 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="bonds.html">Bonds</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html">bond_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html#bond-style-class2-omp-command">bond_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html">bond_style fene command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-omp-command">bond_style fene/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html">bond_style fene/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html">bond_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html">bond_style harmonic/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_hybrid.html">bond_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html">bond_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html#bond-style-morse-omp-command">bond_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_none.html">bond_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html">bond_style nonlinear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html">bond_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html#bond-style-quartic-omp-command">bond_style quartic/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#bond-style-table-omp-command">bond_style table/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="bond_zero.html">bond_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +161,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="bonds.html">Bonds</a> »</li>
+
<li>bond_style table command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +174,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_zero.html" class="btn btn-neutral float-right" title="bond_style zero command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_quartic.html" class="btn btn-neutral" title="bond_style quartic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -233,7 +296,7 @@ one that matches the specified keyword.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -243,7 +306,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -264,6 +327,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="bond_zero.html" class="btn btn-neutral float-right" title="bond_style zero command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_quartic.html" class="btn btn-neutral" title="bond_style quartic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_write.html b/doc/html/bond_write.html
index c864a7f35af0a166fa58af3bf82d10b7467a09f6..6f06d490046f0a328fd05b5b2005be942ed7e1fe 100644
--- a/doc/html/bond_write.html
+++ b/doc/html/bond_write.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="boundary command" href="boundary.html"/>
+ <link rel="prev" title="bond_style command" href="bond_style.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_write command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>bond_write command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="boundary.html" class="btn btn-neutral float-right" title="boundary command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_style.html" class="btn btn-neutral" title="bond_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -188,6 +331,15 @@ be specified even if the potential has a finite value at r = 0.0.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="boundary.html" class="btn btn-neutral float-right" title="boundary command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_style.html" class="btn btn-neutral" title="bond_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bond_zero.html b/doc/html/bond_zero.html
index 2989c2f86786563b0952e6bd69a6f5fccd0bccea..642c4b37decc6d66ddd5a8b631c844b7901b7c8e 100644
--- a/doc/html/bond_zero.html
+++ b/doc/html/bond_zero.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Bonds" href="bonds.html"/>
+ <link rel="next" title="Angle Styles" href="angles.html"/>
+ <link rel="prev" title="bond_style table command" href="bond_table.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,54 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="bonds.html">Bonds</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html">bond_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html#bond-style-class2-omp-command">bond_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html">bond_style fene command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-omp-command">bond_style fene/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html">bond_style fene/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html">bond_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html">bond_style harmonic/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_hybrid.html">bond_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html">bond_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html#bond-style-morse-omp-command">bond_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_none.html">bond_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html">bond_style nonlinear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html">bond_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html#bond-style-quartic-omp-command">bond_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html">bond_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html#bond-style-table-omp-command">bond_style table/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">bond_style zero command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +161,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="bonds.html">Bonds</a> »</li>
+
<li>bond_style zero command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +174,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="angles.html" class="btn btn-neutral float-right" title="Angle Styles" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_table.html" class="btn btn-neutral" title="bond_style table command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -175,6 +238,15 @@ going to be used to assign an equilibrium distance, e.g. for use with
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angles.html" class="btn btn-neutral float-right" title="Angle Styles" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_table.html" class="btn btn-neutral" title="bond_style table command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/bonds.html b/doc/html/bonds.html
new file mode 100644
index 0000000000000000000000000000000000000000..bd30e62d0d807e0d228d372213f17ad97481dc80
--- /dev/null
+++ b/doc/html/bonds.html
@@ -0,0 +1,286 @@
+
+
+<!DOCTYPE html>
+<!--[if IE 8]><html class="no-js lt-ie9" lang="en" > <![endif]-->
+<!--[if gt IE 8]><!--> <html class="no-js" lang="en" > <!--<![endif]-->
+<head>
+ <meta charset="utf-8">
+
+ <meta name="viewport" content="width=device-width, initial-scale=1.0">
+
+ <title>Bond Styles — LAMMPS documentation</title>
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+ <link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
+
+
+
+ <link rel="stylesheet" href="_static/sphinxcontrib-images/LightBox2/lightbox2/css/lightbox.css" type="text/css" />
+
+
+
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="next" title="bond_style class2 command" href="bond_class2.html"/>
+ <link rel="prev" title="pair_style zero command" href="pair_zero.html"/>
+
+
+ <script src="_static/js/modernizr.min.js"></script>
+
+</head>
+
+<body class="wy-body-for-nav" role="document">
+
+ <div class="wy-grid-for-nav">
+
+
+ <nav data-toggle="wy-nav-shift" class="wy-nav-side">
+ <div class="wy-side-nav-search">
+
+
+
+ <a href="Manual.html" class="icon icon-home"> LAMMPS
+
+
+
+ </a>
+
+
+<div role="search">
+ <form id="rtd-search-form" class="wy-form" action="search.html" method="get">
+ <input type="text" name="q" placeholder="Search docs" />
+ <input type="hidden" name="check_keywords" value="yes" />
+ <input type="hidden" name="area" value="default" />
+ </form>
+</div>
+
+
+ </div>
+
+ <div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="main navigation">
+
+
+
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_tools.html">9. Additional tools</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying & extending LAMMPS</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
+</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1 current"><a class="current reference internal" href="#">Bond Styles</a><ul>
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html">bond_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_class2.html#bond-style-class2-omp-command">bond_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html">bond_style fene command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene.html#bond-style-fene-omp-command">bond_style fene/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html">bond_style fene/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_fene_expand.html#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html">bond_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html">bond_style harmonic/shift command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift.html#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_harmonic_shift_cut.html#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_hybrid.html">bond_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html">bond_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_morse.html#bond-style-morse-omp-command">bond_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_none.html">bond_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html">bond_style nonlinear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_nonlinear.html#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html">bond_style quartic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_quartic.html#bond-style-quartic-omp-command">bond_style quartic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html">bond_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_table.html#bond-style-table-omp-command">bond_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_zero.html">bond_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
+
+
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+ </div>
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+ <div class="section" id="bond-styles">
+<h1>Bond Styles</h1>
+<div class="toctree-wrapper compound">
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="bond_class2.html">bond_style class2 command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_class2.html#bond-style-class2-omp-command">bond_style class2/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_fene.html">bond_style fene command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_fene.html#bond-style-fene-intel-command">bond_style fene/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_fene.html#bond-style-fene-kk-command">bond_style fene/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_fene.html#bond-style-fene-omp-command">bond_style fene/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_fene_expand.html">bond_style fene/expand command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_fene_expand.html#bond-style-fene-expand-omp-command">bond_style fene/expand/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_harmonic.html">bond_style harmonic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-intel-command">bond_style harmonic/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-kk-command">bond_style harmonic/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_harmonic.html#bond-style-harmonic-omp-command">bond_style harmonic/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_harmonic_shift.html">bond_style harmonic/shift command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_harmonic_shift.html#bond-style-harmonic-shift-omp-command">bond_style harmonic/shift/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_harmonic_shift_cut.html">bond_style harmonic/shift/cut command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_harmonic_shift_cut.html#bond-style-harmonic-shift-cut-omp-command">bond_style harmonic/shift/cut/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_hybrid.html">bond_style hybrid command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_morse.html">bond_style morse command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_morse.html#bond-style-morse-omp-command">bond_style morse/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_none.html">bond_style none command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_nonlinear.html">bond_style nonlinear command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_nonlinear.html#bond-style-nonlinear-omp-command">bond_style nonlinear/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_quartic.html">bond_style quartic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_quartic.html#bond-style-quartic-omp-command">bond_style quartic/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_table.html">bond_style table command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_table.html#bond-style-table-omp-command">bond_style table/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_zero.html">bond_style zero command</a></li>
+</ul>
+</div>
+</div>
+
+
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+ <footer>
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+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
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\ No newline at end of file
diff --git a/doc/html/boundary.html b/doc/html/boundary.html
index 4166285302c5a5433ea9bfb4e792ca9baded4a05..fe8b11322d43fa124e76f83e0122b21e447488da 100644
--- a/doc/html/boundary.html
+++ b/doc/html/boundary.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="box command" href="box.html"/>
+ <link rel="prev" title="bond_write command" href="bond_write.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">boundary command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>boundary command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="box.html" class="btn btn-neutral float-right" title="box command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_write.html" class="btn btn-neutral" title="bond_write command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,15 +275,16 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">boundary</span> <span class="n">x</span> <span class="n">y</span> <span class="n">z</span>
</pre></div>
</div>
-<ul class="simple">
-<li>x,y,z = <em>p</em> or <em>s</em> or <em>f</em> or <em>m</em>, one or two letters</li>
-</ul>
+<ul>
+<li><p class="first">x,y,z = <em>p</em> or <em>s</em> or <em>f</em> or <em>m</em>, one or two letters</p>
<pre class="literal-block">
<em>p</em> is periodic
<em>f</em> is non-periodic and fixed
<em>s</em> is non-periodic and shrink-wrapped
<em>m</em> is non-periodic and shrink-wrapped with a minimum value
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -198,7 +343,7 @@ face, to encompass the atoms. E.g. for a positive xy tilt, the xlo
and xhi faces of the box are planes tilting in the +y direction as y
increases. These tilted planes are shrink-wrapped around the atoms to
determine the x extent of the box.</p>
-<p>See <a class="reference internal" href="Section_howto.html#howto-12"><span class="std std-ref">Section_howto 12</span></a> of the doc pages
+<p>See <a class="reference internal" href="Section_howto.html#howto-12"><span class="std std-ref">Section 6.12</span></a> of the doc pages
for a geometric description of triclinic boxes, as defined by LAMMPS,
and how to transform these parameters to and from other commonly used
triclinic representations.</p>
@@ -230,6 +375,15 @@ of lost atoms.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="box.html" class="btn btn-neutral float-right" title="box command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="bond_write.html" class="btn btn-neutral" title="bond_write command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/box.html b/doc/html/box.html
index fdeaf9c4b1f9e9e0ee9a820e86cb67cd1cadee82..2a5b2aa8307aeab0734a231e917d788924342488 100644
--- a/doc/html/box.html
+++ b/doc/html/box.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="change_box command" href="change_box.html"/>
+ <link rel="prev" title="boundary command" href="boundary.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">box command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>box command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="change_box.html" class="btn btn-neutral float-right" title="change_box command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="boundary.html" class="btn btn-neutral" title="boundary command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,13 +274,15 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">box</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>one or more keyword/value pairs may be appended</li>
-<li>keyword = <em>tilt</em></li>
-</ul>
+<ul>
+<li><p class="first">one or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>tilt</em></p>
<pre class="literal-block">
<em>tilt</em> value = <em>small</em> or <em>large</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -186,6 +331,15 @@ error.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="change_box.html" class="btn btn-neutral float-right" title="change_box command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="boundary.html" class="btn btn-neutral" title="boundary command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/change_box.html b/doc/html/change_box.html
index 5fd817925f2cdfad62d7266f379528eb2195652c..6c53563e9e04f2b32bb5096a22a46a62e1daea18 100644
--- a/doc/html/change_box.html
+++ b/doc/html/change_box.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="clear command" href="clear.html"/>
+ <link rel="prev" title="box command" href="box.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">change_box command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>change_box command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="clear.html" class="btn btn-neutral float-right" title="clear command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="box.html" class="btn btn-neutral" title="box command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,10 +275,10 @@
<pre class="literal-block">
change_box group-ID parameter args ... keyword args ...
</pre>
-<ul class="simple">
-<li>group-ID = ID of group of atoms to (optionally) displace</li>
-<li>one or more parameter/arg pairs may be appended</li>
-</ul>
+<ul>
+<li><p class="first">group-ID = ID of group of atoms to (optionally) displace</p>
+</li>
+<li><p class="first">one or more parameter/arg pairs may be appended</p>
<pre class="literal-block">
parameter = <em>x</em> or <em>y</em> or <em>z</em> or <em>xy</em> or <em>xz</em> or <em>yz</em> or <em>boundary</em> or <em>ortho</em> or <em>triclinic</em> or <em>set</em> or <em>remap</em>
<em>x</em>, <em>y</em>, <em>z</em> args = style value(s)
@@ -163,15 +307,17 @@ parameter = <em>x</em> or <em>y</em> or <em>z</em> or <em>xy</em> or <em>xz</em>
<em>set</em> args = none = store state of current box
<em>remap</em> args = none = remap atom coords from last saved state to current box
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>units</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>units</em></p>
<pre class="literal-block">
<em>units</em> value = <em>lattice</em> or <em>box</em>
lattice = distances are defined in lattice units
box = distances are defined in simulation box units
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -200,7 +346,7 @@ The <a class="reference internal" href="create_box.html"><span class="doc">creat
<a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a> commands also determine whether the
simulation box is orthogonal or triclinic and their doc pages explain
the meaning of the xy,xz,yz tilt factors.</p>
-<p>See <a class="reference internal" href="Section_howto.html#howto-12"><span class="std std-ref">Section_howto 12</span></a> of the doc pages
+<p>See <a class="reference internal" href="Section_howto.html#howto-12"><span class="std std-ref">Section 6.12</span></a> of the doc pages
for a geometric description of triclinic boxes, as defined by LAMMPS,
and how to transform these parameters to and from other commonly used
triclinic representations.</p>
@@ -441,6 +587,15 @@ turn them off.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="clear.html" class="btn btn-neutral float-right" title="clear command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="box.html" class="btn btn-neutral" title="box command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/clear.html b/doc/html/clear.html
index f6e32795579e0ead824e66eeff0a885c3299cc30..22d9b39f6794f8f5f2acea43d5d48bae49d0efa3 100644
--- a/doc/html/clear.html
+++ b/doc/html/clear.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="comm_modify command" href="comm_modify.html"/>
+ <link rel="prev" title="change_box command" href="change_box.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,133 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">clear command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +240,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>clear command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +253,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="comm_modify.html" class="btn btn-neutral float-right" title="comm_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="change_box.html" class="btn btn-neutral" title="change_box command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -166,6 +308,15 @@ input script variables (<a class="reference internal" href="variable.html"><span
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="comm_modify.html" class="btn btn-neutral float-right" title="comm_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="change_box.html" class="btn btn-neutral" title="change_box command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/comm_modify.html b/doc/html/comm_modify.html
index 5bc228cc685891e706eebcbaff9fa78fde924c2f..59186da17c462101c2299e35513688f866e87b00 100644
--- a/doc/html/comm_modify.html
+++ b/doc/html/comm_modify.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="comm_style command" href="comm_style.html"/>
+ <link rel="prev" title="clear command" href="clear.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">comm_modify command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>comm_modify command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="comm_style.html" class="btn btn-neutral float-right" title="comm_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="clear.html" class="btn btn-neutral" title="clear command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,10 +275,10 @@
<pre class="literal-block">
comm_modify keyword value ...
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>mode</em> or <em>cutoff</em> or <em>cutoff/multi</em> or <em>group</em> or <em>vel</em></li>
-</ul>
+<ul>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>mode</em> or <em>cutoff</em> or <em>cutoff/multi</em> or <em>group</em> or <em>vel</em></p>
<pre class="literal-block">
<em>mode</em> value = <em>single</em> or <em>multi</em> = communicate atoms within a single or multiple distances
<em>cutoff</em> value = Rcut (distance units) = communicate atoms from this far away
@@ -144,6 +288,8 @@ comm_modify keyword value ...
<em>group</em> value = group-ID = only communicate atoms in the group
<em>vel</em> value = <em>yes</em> or <em>no</em> = do or do not communicate velocity info with ghost atoms
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -281,6 +427,15 @@ cutoff = pairwise force cutoff + neighbor skin.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="comm_style.html" class="btn btn-neutral float-right" title="comm_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="clear.html" class="btn btn-neutral" title="clear command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/comm_style.html b/doc/html/comm_style.html
index a3a1bfd04d665a34e9958229533b8d08d112b912..559c1a186d51781e72d90cc6118e9fb427e4f6cc 100644
--- a/doc/html/comm_style.html
+++ b/doc/html/comm_style.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="compute command" href="compute.html"/>
+ <link rel="prev" title="comm_modify command" href="comm_modify.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">comm_style command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>comm_style command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute.html" class="btn btn-neutral float-right" title="compute command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="comm_modify.html" class="btn btn-neutral" title="comm_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -191,6 +335,15 @@ commands. The decomposition can be changed via the
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute.html" class="btn btn-neutral float-right" title="compute command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
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+ <a href="comm_modify.html" class="btn btn-neutral" title="comm_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/commands.html b/doc/html/commands.html
new file mode 100644
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--- /dev/null
+++ b/doc/html/commands.html
@@ -0,0 +1,446 @@
+
+
+<!DOCTYPE html>
+<!--[if IE 8]><html class="no-js lt-ie9" lang="en" > <![endif]-->
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+ <title>Commands — LAMMPS documentation</title>
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+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="next" title="angle_coeff command" href="angle_coeff.html"/>
+ <link rel="prev" title="Manifolds (surfaces)" href="manifolds.html"/>
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+ <form id="rtd-search-form" class="wy-form" action="search.html" method="get">
+ <input type="text" name="q" placeholder="Search docs" />
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+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_tools.html">9. Additional tools</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying & extending LAMMPS</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
+</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="current reference internal" href="#">Commands</a><ul>
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
+
+
+
+ </div>
+
+ </nav>
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+ <nav class="wy-nav-top" role="navigation" aria-label="top navigation">
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+
+ <div class="section" id="commands">
+<h1>Commands</h1>
+<div class="toctree-wrapper compound">
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</div>
+</div>
+
+
+ </div>
+ </div>
+ <footer>
+
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="angle_coeff.html" class="btn btn-neutral float-right" title="angle_coeff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="manifolds.html" class="btn btn-neutral" title="Manifolds (surfaces)" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
+
+ <hr/>
+
+ <div role="contentinfo">
+ <p>
+ © Copyright 2013 Sandia Corporation.
+ </p>
+ </div>
+ Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a <a href="https://github.com/snide/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>.
+
+</footer>
+
+ </div>
+ </div>
+
+ </section>
+
+ </div>
+
+
+
+
+
+ <script type="text/javascript">
+ var DOCUMENTATION_OPTIONS = {
+ URL_ROOT:'./',
+ VERSION:'',
+ COLLAPSE_INDEX:false,
+ FILE_SUFFIX:'.html',
+ HAS_SOURCE: true
+ };
+ </script>
+ <script type="text/javascript" src="_static/jquery.js"></script>
+ <script type="text/javascript" src="_static/underscore.js"></script>
+ <script type="text/javascript" src="_static/doctools.js"></script>
+ <script type="text/javascript" src="https://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML"></script>
+ <script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2/js/jquery-1.11.0.min.js"></script>
+ <script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2/js/lightbox.min.js"></script>
+ <script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2-customize/jquery-noconflict.js"></script>
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+ <script type="text/javascript">
+ jQuery(function () {
+ SphinxRtdTheme.StickyNav.enable();
+ });
+ </script>
+
+
+</body>
+</html>
\ No newline at end of file
diff --git a/doc/html/compute.html b/doc/html/compute.html
index ec28819bbbda3679cce7e8b7a42d197c23ced322..bc4e410c9b096d819c8c6f8f7419f1a80b2a91b9 100644
--- a/doc/html/compute.html
+++ b/doc/html/compute.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="compute_modify command" href="compute_modify.html"/>
+ <link rel="prev" title="comm_style command" href="comm_style.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>compute command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_modify.html" class="btn btn-neutral float-right" title="compute_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="comm_style.html" class="btn btn-neutral" title="comm_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -371,6 +514,15 @@ section of <a class="reference internal" href="Section_commands.html#cmd-5"><spa
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_modify.html" class="btn btn-neutral float-right" title="compute_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="comm_style.html" class="btn btn-neutral" title="comm_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_ackland_atom.html b/doc/html/compute_ackland_atom.html
index 81a9ef4a5c2ed42c71b319ebb18af54a8dc17763..9d7fc02d6418eae4d6bfb136953e4ce007bbc0d4 100644
--- a/doc/html/compute_ackland_atom.html
+++ b/doc/html/compute_ackland_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute angle command" href="compute_angle.html"/>
+ <link rel="prev" title="Computes" href="computes.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute ackland/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute ackland/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_angle.html" class="btn btn-neutral float-right" title="compute angle command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="computes.html" class="btn btn-neutral" title="Computes" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -168,7 +323,7 @@ which computes this quantity.-</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
</div>
<div class="section" id="restrictions">
@@ -192,6 +347,15 @@ integers defined above.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_angle.html" class="btn btn-neutral float-right" title="compute angle command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="computes.html" class="btn btn-neutral" title="Computes" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_angle.html b/doc/html/compute_angle.html
index b29151ede2ec20967739176296221a471b8113b2..c8fe241627847a077f32937923fa3ad3424df612 100644
--- a/doc/html/compute_angle.html
+++ b/doc/html/compute_angle.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute angle/local command" href="compute_angle_local.html"/>
+ <link rel="prev" title="compute ackland/atom command" href="compute_ackland_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute angle command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute angle command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_angle_local.html" class="btn btn-neutral float-right" title="compute angle/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_ackland_atom.html" class="btn btn-neutral" title="compute ackland/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -177,6 +332,15 @@ options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_angle_local.html" class="btn btn-neutral float-right" title="compute angle/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_ackland_atom.html" class="btn btn-neutral" title="compute ackland/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_angle_local.html b/doc/html/compute_angle_local.html
index 11074e825db8f7f7ceabfe103a773f58cbc37089..1c68d40e0ce9e8cf8b7c3f9ac6839658b436dc23 100644
--- a/doc/html/compute_angle_local.html
+++ b/doc/html/compute_angle_local.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute angmom/chunk command" href="compute_angmom_chunk.html"/>
+ <link rel="prev" title="compute angle command" href="compute_angle.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute angle/local command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute angle/local command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_angmom_chunk.html" class="btn btn-neutral float-right" title="compute angmom/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_angle.html" class="btn btn-neutral" title="compute angle command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,16 +286,20 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">angle</span><span class="o">/</span><span class="n">local</span> <span class="n">value1</span> <span class="n">value2</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>angle/local = style name of this compute command</li>
-<li>one or more values may be appended</li>
-<li>value = <em>theta</em> or <em>eng</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">angle/local = style name of this compute command</p>
+</li>
+<li><p class="first">one or more values may be appended</p>
+</li>
+<li><p class="first">value = <em>theta</em> or <em>eng</em></p>
<pre class="literal-block">
<em>theta</em> = tabulate angles
<em>eng</em> = tabulate angle energies
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -208,6 +367,15 @@ be in energy <a class="reference internal" href="units.html"><span class="doc">u
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_angmom_chunk.html" class="btn btn-neutral float-right" title="compute angmom/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_angle.html" class="btn btn-neutral" title="compute angle command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_angmom_chunk.html b/doc/html/compute_angmom_chunk.html
index 88bb01d89f267cfbca0d58c9f319500bd8673bae..af948b6ec7c20d62130e137255254c45c49053df 100644
--- a/doc/html/compute_angmom_chunk.html
+++ b/doc/html/compute_angmom_chunk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute basal/atom command" href="compute_basal_atom.html"/>
+ <link rel="prev" title="compute angle/local command" href="compute_angle_local.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute angmom/chunk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute angmom/chunk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_basal_atom.html" class="btn btn-neutral float-right" title="compute basal/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_angle_local.html" class="btn btn-neutral" title="compute angle/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -150,7 +305,7 @@ chunks of atoms.</p>
<p>In LAMMPS, chunks are collections of atoms defined by a <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command, which assigns each atom
to a single chunk (or no chunk). The ID for this command is specified
as chunkID. For example, a single chunk could be the atoms in a
-molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and “<a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section_howto 23</span></a> for details of how chunks can be
+molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and <a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section 6.23</span></a> for details of how chunks can be
defined and examples of how they can be used to measure properties of
a system.</p>
<p>This compute calculates the 3 components of the angular momentum
@@ -188,7 +343,7 @@ fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
number of chunks <em>Nchunk</em> as calculated by the specified <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command. The number of columns =
3 for the 3 xyz components of the angular momentum for each chunk.
These values can be accessed by any command that uses global array
-values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The array values are “intensive”. The array values will be in
mass-velocity-distance <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -210,6 +365,15 @@ mass-velocity-distance <a class="reference internal" href="units.html"><span cla
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_basal_atom.html" class="btn btn-neutral float-right" title="compute basal/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_angle_local.html" class="btn btn-neutral" title="compute angle/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_basal_atom.html b/doc/html/compute_basal_atom.html
index 683fcf61d001bf094d972b0fb781d2a3f3437ee7..4cb9c073f3e94f096cef2b9fa39c5891ff5ec91f 100644
--- a/doc/html/compute_basal_atom.html
+++ b/doc/html/compute_basal_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute body/local command" href="compute_body_local.html"/>
+ <link rel="prev" title="compute angmom/chunk command" href="compute_angmom_chunk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute basal/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute basal/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_body_local.html" class="btn btn-neutral float-right" title="compute body/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_angmom_chunk.html" class="btn btn-neutral" title="compute angmom/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -163,7 +318,7 @@ in examples/USER/misc/basal.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom array with 3 columns, which can be
accessed by indices 1-3 by any command that uses per-atom values from
-a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The per-atom vector values are unitless since the 3 columns represent
components of a unit vector.</p>
@@ -190,6 +345,15 @@ well-defined basal plane.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_body_local.html" class="btn btn-neutral float-right" title="compute body/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_angmom_chunk.html" class="btn btn-neutral" title="compute angmom/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_body_local.html b/doc/html/compute_body_local.html
index 6d9a66c972a61bbe004b3ff7e1096b2f2b435cd4..c3495c56b58f5f546bb37f06cccbf6ea4b46d6df 100644
--- a/doc/html/compute_body_local.html
+++ b/doc/html/compute_body_local.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute bond command" href="compute_bond.html"/>
+ <link rel="prev" title="compute basal/atom command" href="compute_basal_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute body/local command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute body/local command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_bond.html" class="btn btn-neutral float-right" title="compute bond command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_basal_atom.html" class="btn btn-neutral" title="compute basal/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,17 +286,21 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">body</span><span class="o">/</span><span class="n">local</span> <span class="n">input1</span> <span class="n">input2</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>body/local = style name of this compute command</li>
-<li>one or more keywords may be appended</li>
-<li>keyword = <em>id</em> or <em>type</em> or <em>integer</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">body/local = style name of this compute command</p>
+</li>
+<li><p class="first">one or more keywords may be appended</p>
+</li>
+<li><p class="first">keyword = <em>id</em> or <em>type</em> or <em>integer</em></p>
<pre class="literal-block">
<em>id</em> = atom ID of the body particle
<em>type</em> = atom type of the body particle
<em>integer</em> = 1,2,3,etc = index of fields defined by body style
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -156,7 +315,7 @@
sub-particles. The number of datums generated, aggregated across all
processors, equals the number of body sub-particles plus the number of
non-body particles in the system, modified by the group parameter as
-explained below. See <a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section_howto 14</span></a>
+explained below. See <a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section 6.14</span></a>
of the manual and the <a class="reference internal" href="body.html"><span class="doc">body</span></a> doc page for more details on
using body particles.</p>
<p>The local data stored by this command is generated by looping over all
@@ -215,6 +374,15 @@ options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_bond.html" class="btn btn-neutral float-right" title="compute bond command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_basal_atom.html" class="btn btn-neutral" title="compute basal/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_bond.html b/doc/html/compute_bond.html
index 615004f9132107c835dd5b8364626eac756449d5..5c428928acd872612e5cd473ca604bf3f2012300 100644
--- a/doc/html/compute_bond.html
+++ b/doc/html/compute_bond.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute bond/local command" href="compute_bond_local.html"/>
+ <link rel="prev" title="compute body/local command" href="compute_body_local.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute bond command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute bond command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_bond_local.html" class="btn btn-neutral float-right" title="compute bond/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_body_local.html" class="btn btn-neutral" title="compute body/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -177,6 +332,15 @@ options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_bond_local.html" class="btn btn-neutral float-right" title="compute bond/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_body_local.html" class="btn btn-neutral" title="compute body/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_bond_local.html b/doc/html/compute_bond_local.html
index 515cfd54844edc7f3de2e27b55f87660d4bc9556..e03fff85458714942755b1c52b52458bff88c510 100644
--- a/doc/html/compute_bond_local.html
+++ b/doc/html/compute_bond_local.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute centro/atom command" href="compute_centro_atom.html"/>
+ <link rel="prev" title="compute bond command" href="compute_bond.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute bond/local command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute bond/local command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_centro_atom.html" class="btn btn-neutral float-right" title="compute centro/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_bond.html" class="btn btn-neutral" title="compute bond command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +286,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">bond</span><span class="o">/</span><span class="n">local</span> <span class="n">value1</span> <span class="n">value2</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>bond/local = style name of this compute command</li>
-<li>one or more values may be appended</li>
-<li>value = <em>dist</em> or <em>engpot</em> or <em>force</em> or <em>engvib</em> or <em>engrot</em> or <em>engtrans</em> or <em>omega</em> or <em>velvib</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">bond/local = style name of this compute command</p>
+</li>
+<li><p class="first">one or more values may be appended</p>
+</li>
+<li><p class="first">value = <em>dist</em> or <em>engpot</em> or <em>force</em> or <em>engvib</em> or <em>engrot</em> or <em>engtrans</em> or <em>omega</em> or <em>velvib</em></p>
<pre class="literal-block">
<em>dist</em> = bond distance
<em>engpot</em> = bond potential energy
@@ -149,6 +306,8 @@
<em>omega</em> = magnitude of bond angular velocity
<em>velvib</em> = vibrational velocity along the bond length
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -252,6 +411,15 @@ energy <a class="reference internal" href="units.html"><span class="doc">units</
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_centro_atom.html" class="btn btn-neutral float-right" title="compute centro/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_bond.html" class="btn btn-neutral" title="compute bond command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_centro_atom.html b/doc/html/compute_centro_atom.html
index 5b1779546e13e22ff5fd58f1a475eeec7bd0ba4b..4d619fa7e9ea74fefe9114d9bbf479ec84f8c5ba 100644
--- a/doc/html/compute_centro_atom.html
+++ b/doc/html/compute_centro_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute chunk/atom command" href="compute_chunk_atom.html"/>
+ <link rel="prev" title="compute bond/local command" href="compute_bond_local.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute centro/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute centro/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_chunk_atom.html" class="btn btn-neutral float-right" title="compute chunk/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_bond_local.html" class="btn btn-neutral" title="compute bond/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -212,7 +368,7 @@ too frequently or to have multiple compute/dump commands, each with a
<p><strong>Output info:</strong></p>
<p>By default, this compute calculates the centrosymmetry value for each
atom as a per-atom vector, which can be accessed by any command that
-uses per-atom values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+uses per-atom values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>If the <em>axes</em> keyword setting is <em>yes</em>, then a per-atom array is
calculated. The first column is the centrosymmetry parameter. The
@@ -268,6 +424,15 @@ of 12.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_chunk_atom.html" class="btn btn-neutral float-right" title="compute chunk/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_bond_local.html" class="btn btn-neutral" title="compute bond/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_chunk_atom.html b/doc/html/compute_chunk_atom.html
index 41c6f3be8620aa69c0689363665f2219f300d530..4e877c1ee5b35a35781b0350540e659d0ac84f8d 100644
--- a/doc/html/compute_chunk_atom.html
+++ b/doc/html/compute_chunk_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute cluster/atom command" href="compute_cluster_atom.html"/>
+ <link rel="prev" title="compute centro/atom command" href="compute_centro_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute chunk/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute chunk/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_cluster_atom.html" class="btn btn-neutral float-right" title="compute cluster/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_centro_atom.html" class="btn btn-neutral" title="compute centro/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,10 +287,10 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">chunk</span><span class="o">/</span><span class="n">atom</span> <span class="n">style</span> <span class="n">args</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>chunk/atom = style name of this compute command</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">chunk/atom = style name of this compute command</p>
<pre class="literal-block">
style = <em>bin/1d</em> or <em>bin/2d</em> or <em>bin/3d</em> or <em>bin/sphere</em> or <em>type</em> or <em>molecule</em> or <em>compute/fix/variable</em>
<em>bin/1d</em> args = dim origin delta
@@ -169,10 +325,10 @@ style = <em>bin/1d</em> or <em>bin/2d</em> or <em>bin/3d</em> or <em>bin/sphere<
f_ID[I] = Ith column of per-atom array calculated by a fix with ID
v_name = per-atom vector calculated by an atom-style variable with name
</pre>
-<ul class="simple">
-<li>zero or more keyword/values pairs may be appended</li>
-<li>keyword = <em>region</em> or <em>nchunk</em> or <em>static</em> or <em>compress</em> or <em>bound</em> or <em>discard</em> or <em>pbc</em> or <em>units</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/values pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>region</em> or <em>nchunk</em> or <em>static</em> or <em>compress</em> or <em>bound</em> or <em>discard</em> or <em>pbc</em> or <em>units</em></p>
<pre class="literal-block">
<em>region</em> value = region-ID
region-ID = ID of region atoms must be in to be part of a chunk
@@ -202,6 +358,8 @@ style = <em>bin/1d</em> or <em>bin/2d</em> or <em>bin/3d</em> or <em>bin/sphere<
yes = use periodic distance for bin/sphere and bin/cylinder styles
<em>units</em> value = <em>box</em> or <em>lattice</em> or <em>reduced</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -224,8 +382,8 @@ another <a class="reference internal" href="compute.html"><span class="doc">comp
computes with “chunk” in their style name, such as <a class="reference internal" href="compute_com_chunk.html"><span class="doc">compute com/chunk</span></a> or <a class="reference internal" href="compute_msd_chunk.html"><span class="doc">compute msd/chunk</span></a>. Or they can be used by the <a class="reference internal" href="fix_ave_chunk.html"><span class="doc">fix ave/chunk</span></a> command to sum and time average a
variety of per-atom properties over the atoms in each chunk. Or they
can simply be accessed by any command that uses per-atom values from a
-compute as input, as discussed in <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a>.</p>
-<p>See <a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section_howto 23</span></a> for an overview of
+compute as input, as discussed in <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a>.</p>
+<p>See <a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section 6.23</span></a> for an overview of
how this compute can be used with a variety of other commands to
tabulate properties of a simulation. The howto section gives several
examples of input script commands that can be used to calculate
@@ -662,7 +820,7 @@ cylinder, x for a y-axis cylinder, and x for a z-axis cylinder.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-atom vector values are unitless chunk IDs, ranging from 1 to
<em>Nchunk</em> (inclusive) for atoms assigned to chunks, and 0 for atoms not
@@ -709,6 +867,15 @@ the restarted simulation begins.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_cluster_atom.html" class="btn btn-neutral float-right" title="compute cluster/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_centro_atom.html" class="btn btn-neutral" title="compute centro/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_cluster_atom.html b/doc/html/compute_cluster_atom.html
index 87b9a15594c3b0f648882cf8b9f739e7a2aa8e2a..36de372166a225af78485f998d70ff9a16b79ebb 100644
--- a/doc/html/compute_cluster_atom.html
+++ b/doc/html/compute_cluster_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute cna/atom command" href="compute_cna_atom.html"/>
+ <link rel="prev" title="compute chunk/atom command" href="compute_chunk_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute cluster/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute cluster/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_cna_atom.html" class="btn btn-neutral float-right" title="compute cna/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_chunk_atom.html" class="btn btn-neutral" title="compute chunk/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -179,7 +334,7 @@ the neighbor list.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-atom vector values will be an ID > 0, as explained above.</p>
</div>
@@ -200,6 +355,15 @@ LAMMPS output options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_cna_atom.html" class="btn btn-neutral float-right" title="compute cna/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_chunk_atom.html" class="btn btn-neutral" title="compute chunk/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_cna_atom.html b/doc/html/compute_cna_atom.html
index b395acd816c71003003285d8d2f10c6a642354a3..9cb23c3e7ac897b9776afbaa75afae08e4b142bf 100644
--- a/doc/html/compute_cna_atom.html
+++ b/doc/html/compute_cna_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute com command" href="compute_com.html"/>
+ <link rel="prev" title="compute cluster/atom command" href="compute_cluster_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute cna/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute cna/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_com.html" class="btn btn-neutral float-right" title="compute com command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_cluster_atom.html" class="btn btn-neutral" title="compute cluster/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -187,7 +342,7 @@ too frequently or to have multiple compute/dump commands, each with a
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-atom vector values will be a number from 0 to 5, as explained
above.</p>
@@ -212,6 +367,15 @@ above.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_com.html" class="btn btn-neutral float-right" title="compute com command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_cluster_atom.html" class="btn btn-neutral" title="compute cluster/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_com.html b/doc/html/compute_com.html
index e7754ad7c753a3fd695c25a5b6adad6cbd888985..4cef0ac2a1083944c1042f4d66db1390357e25f0 100644
--- a/doc/html/compute_com.html
+++ b/doc/html/compute_com.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute com/chunk command" href="compute_com_chunk.html"/>
+ <link rel="prev" title="compute cna/atom command" href="compute_cna_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute com command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute com command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_com_chunk.html" class="btn btn-neutral float-right" title="compute com/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_cna_atom.html" class="btn btn-neutral" title="compute cna/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -184,6 +339,15 @@ distance <a class="reference internal" href="units.html"><span class="doc">units
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_com_chunk.html" class="btn btn-neutral float-right" title="compute com/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_cna_atom.html" class="btn btn-neutral" title="compute cna/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_com_chunk.html b/doc/html/compute_com_chunk.html
index e2bce3f87283c03895aca5b382c89587706b14a1..5f6f2243ffb541254041b38be4d27c939b67a05a 100644
--- a/doc/html/compute_com_chunk.html
+++ b/doc/html/compute_com_chunk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute contact/atom command" href="compute_contact_atom.html"/>
+ <link rel="prev" title="compute com command" href="compute_com.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute com/chunk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute com/chunk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_contact_atom.html" class="btn btn-neutral float-right" title="compute contact/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_com.html" class="btn btn-neutral" title="compute com command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -150,7 +305,7 @@ chunks of atoms.</p>
<p>In LAMMPS, chunks are collections of atoms defined by a <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command, which assigns each atom
to a single chunk (or no chunk). The ID for this command is specified
as chunkID. For example, a single chunk could be the atoms in a
-molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and “<a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section_howto 23</span></a> for details of how chunks can be
+molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and <a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section 6.23</span></a> for details of how chunks can be
defined and examples of how they can be used to measure properties of
a system.</p>
<p>This compute calculates the x,y,z coordinates of the center-of-mass
@@ -186,7 +341,7 @@ fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
number of chunks <em>Nchunk</em> as calculated by the specified <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command. The number of columns =
3 for the x,y,z center-of-mass coordinates of each chunk. These
values can be accessed by any command that uses global array values
-from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The array values are “intensive”. The array values will be in
distance <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -208,6 +363,15 @@ distance <a class="reference internal" href="units.html"><span class="doc">units
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_contact_atom.html" class="btn btn-neutral float-right" title="compute contact/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_com.html" class="btn btn-neutral" title="compute com command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_contact_atom.html b/doc/html/compute_contact_atom.html
index 686bbd9eb507a6a1074cd4a0be022ab944393b38..4eee646f30c79ef8b3e0451211ba5d1e759d50cf 100644
--- a/doc/html/compute_contact_atom.html
+++ b/doc/html/compute_contact_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute coord/atom command" href="compute_coord_atom.html"/>
+ <link rel="prev" title="compute com/chunk command" href="compute_com_chunk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute contact/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute contact/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_coord_atom.html" class="btn btn-neutral float-right" title="compute coord/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_com_chunk.html" class="btn btn-neutral" title="compute com/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -155,7 +310,7 @@ specified compute group.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom vector, whose values can be
accessed by any command that uses per-atom values from a compute as
-input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an
+input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an
overview of LAMMPS output options.</p>
<p>The per-atom vector values will be a number >= 0.0, as explained
above.</p>
@@ -177,6 +332,15 @@ above.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_coord_atom.html" class="btn btn-neutral float-right" title="compute coord/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_com_chunk.html" class="btn btn-neutral" title="compute com/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_coord_atom.html b/doc/html/compute_coord_atom.html
index 67663e1ce28d116ed4845497e932d81b6ffc70e9..16b98f6b76181b232d570cca1160f22b38f4f5e0 100644
--- a/doc/html/compute_coord_atom.html
+++ b/doc/html/compute_coord_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute damage/atom command" href="compute_damage_atom.html"/>
+ <link rel="prev" title="compute contact/atom command" href="compute_contact_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute coord/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute coord/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_damage_atom.html" class="btn btn-neutral float-right" title="compute damage/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_contact_atom.html" class="btn btn-neutral" title="compute contact/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -194,7 +349,7 @@ the neighbor list.</p>
this compute calculates a per-atom vector. If multiple <em>typeN</em>
keywords are specified, this compute calculates a per-atom array, with
N columns. These values can be accessed by any command that uses
-per-atom values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+per-atom values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The per-atom vector or array values will be a number >= 0.0, as
explained above.</p>
@@ -216,6 +371,15 @@ explained above.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_damage_atom.html" class="btn btn-neutral float-right" title="compute damage/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_contact_atom.html" class="btn btn-neutral" title="compute contact/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_damage_atom.html b/doc/html/compute_damage_atom.html
index 97a0eba0d0cc1d80eae7a7d7e7a87b9c4ff81bb3..a23558ea22193b4ec226c6cc71ac9b56cf1e4ee1 100644
--- a/doc/html/compute_damage_atom.html
+++ b/doc/html/compute_damage_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute dihedral command" href="compute_dihedral.html"/>
+ <link rel="prev" title="compute coord/atom command" href="compute_coord_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute damage/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute damage/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_dihedral.html" class="btn btn-neutral float-right" title="compute dihedral command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_coord_atom.html" class="btn btn-neutral" title="compute coord/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -159,7 +314,7 @@ group.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-atom vector values are unitlesss numbers (damage) >= 0.0.</p>
</div>
@@ -181,6 +336,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_dihedral.html" class="btn btn-neutral float-right" title="compute dihedral command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_coord_atom.html" class="btn btn-neutral" title="compute coord/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_dihedral.html b/doc/html/compute_dihedral.html
index ba623d56842abe7aded2bf2f57571dfec5c9278e..8299d9a352acb9dc8614e515e6f116bb4e7b6ce9 100644
--- a/doc/html/compute_dihedral.html
+++ b/doc/html/compute_dihedral.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute dihedral/local command" href="compute_dihedral_local.html"/>
+ <link rel="prev" title="compute damage/atom command" href="compute_damage_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute dihedral command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute dihedral command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_dihedral_local.html" class="btn btn-neutral float-right" title="compute dihedral/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_damage_atom.html" class="btn btn-neutral" title="compute damage/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -176,6 +331,15 @@ options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_dihedral_local.html" class="btn btn-neutral float-right" title="compute dihedral/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_damage_atom.html" class="btn btn-neutral" title="compute damage/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_dihedral_local.html b/doc/html/compute_dihedral_local.html
index e2e289c87d633ae0f3ba37fdbc82c7fb1a3c0df3..c226401a1139ddc721203c92de5312ddc2c45f69 100644
--- a/doc/html/compute_dihedral_local.html
+++ b/doc/html/compute_dihedral_local.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute dilatation/atom command" href="compute_dilatation_atom.html"/>
+ <link rel="prev" title="compute dihedral command" href="compute_dihedral.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute dihedral/local command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute dihedral/local command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_dilatation_atom.html" class="btn btn-neutral float-right" title="compute dilatation/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_dihedral.html" class="btn btn-neutral" title="compute dihedral command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,15 +286,19 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">dihedral</span><span class="o">/</span><span class="n">local</span> <span class="n">value1</span> <span class="n">value2</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>dihedral/local = style name of this compute command</li>
-<li>one or more values may be appended</li>
-<li>value = <em>phi</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">dihedral/local = style name of this compute command</p>
+</li>
+<li><p class="first">one or more values may be appended</p>
+</li>
+<li><p class="first">value = <em>phi</em></p>
<pre class="literal-block">
<em>phi</em> = tabulate dihedral angles
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -201,6 +360,15 @@ options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_dilatation_atom.html" class="btn btn-neutral float-right" title="compute dilatation/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_dihedral.html" class="btn btn-neutral" title="compute dihedral command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_dilatation_atom.html b/doc/html/compute_dilatation_atom.html
index 798663b6a874dbacb62bf1a843a20e8d11f61def..1c90e51373c3d222bf5598277b0017706e429839 100644
--- a/doc/html/compute_dilatation_atom.html
+++ b/doc/html/compute_dilatation_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute dipole/chunk command" href="compute_dipole_chunk.html"/>
+ <link rel="prev" title="compute dihedral/local command" href="compute_dihedral_local.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute dilatation/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute dilatation/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_dipole_chunk.html" class="btn btn-neutral float-right" title="compute dipole/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_dihedral_local.html" class="btn btn-neutral" title="compute dihedral/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -183,6 +338,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_dipole_chunk.html" class="btn btn-neutral float-right" title="compute dipole/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_dihedral_local.html" class="btn btn-neutral" title="compute dihedral/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_dipole_chunk.html b/doc/html/compute_dipole_chunk.html
index efedfa05122f402cc6dbf14f91aba2951c72e09a..ab01eb7c09485b65338dad9d860ac4ae0ace8d6c 100644
--- a/doc/html/compute_dipole_chunk.html
+++ b/doc/html/compute_dipole_chunk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute displace/atom command" href="compute_displace_atom.html"/>
+ <link rel="prev" title="compute dilatation/atom command" href="compute_dilatation_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute dipole/chunk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute dipole/chunk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_displace_atom.html" class="btn btn-neutral float-right" title="compute displace/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_dilatation_atom.html" class="btn btn-neutral" title="compute dilatation/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -152,7 +307,7 @@ for multiple chunks of atoms.</p>
<p>In LAMMPS, chunks are collections of atoms defined by a <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command, which assigns each atom
to a single chunk (or no chunk). The ID for this command is specified
as chunkID. For example, a single chunk could be the atoms in a
-molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and “<a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section_howto 23</span></a> for details of how chunks can be
+molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and <a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section 6.23</span></a> for details of how chunks can be
defined and examples of how they can be used to measure properties of
a system.</p>
<p>This compute calculates the x,y,z coordinates of the dipole vector
@@ -191,7 +346,7 @@ fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
number of chunks <em>Nchunk</em> as calculated by the specified <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command. The number of columns =
4 for the x,y,z dipole vector components and the total dipole of each
chunk. These values can be accessed by any command that uses global
-array values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+array values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The array values are “intensive”. The array values will be in
dipole units, i.e. charge units times distance <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -213,6 +368,15 @@ dipole units, i.e. charge units times distance <a class="reference internal" hre
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_displace_atom.html" class="btn btn-neutral float-right" title="compute displace/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_dilatation_atom.html" class="btn btn-neutral" title="compute dilatation/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_displace_atom.html b/doc/html/compute_displace_atom.html
index 14b3b052843ef63f59e1cb365ca7404230ccdb2e..9e51ef1a8a936585a745ba8e273247e620c98cd1 100644
--- a/doc/html/compute_displace_atom.html
+++ b/doc/html/compute_displace_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute dpd command" href="compute_dpd.html"/>
+ <link rel="prev" title="compute dipole/chunk command" href="compute_dipole_chunk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute displace/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute displace/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_dpd.html" class="btn btn-neutral float-right" title="compute dpd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_dipole_chunk.html" class="btn btn-neutral" title="compute dipole/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -175,7 +330,7 @@ correctly with time=0 atom coordinates from the restart file.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom array with 4 columns, which can be
accessed by indices 1-4 by any command that uses per-atom values from
-a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The per-atom array values will be in distance <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
</div>
@@ -196,6 +351,15 @@ options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_dpd.html" class="btn btn-neutral float-right" title="compute dpd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_dipole_chunk.html" class="btn btn-neutral" title="compute dipole/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_dpd.html b/doc/html/compute_dpd.html
index d65587a9aacb64826b5b30167e7115da3273f938..0ac12854284159fa97b20b6a84592ed8fd6f76bd 100644
--- a/doc/html/compute_dpd.html
+++ b/doc/html/compute_dpd.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute dpd/atom command" href="compute_dpd_atom.html"/>
+ <link rel="prev" title="compute displace/atom command" href="compute_displace_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute dpd command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute dpd command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_dpd_atom.html" class="btn btn-neutral float-right" title="compute dpd/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_displace_atom.html" class="btn btn-neutral" title="compute displace/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -187,6 +342,15 @@ Laboratory, Aberdeen Proving Ground, MD (2014).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_dpd_atom.html" class="btn btn-neutral float-right" title="compute dpd/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_displace_atom.html" class="btn btn-neutral" title="compute displace/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_dpd_atom.html b/doc/html/compute_dpd_atom.html
index ef2c8dedf7831eba52f44a030212eb9cd96e3496..a43e9eb1b81791c602d9fbb08174b51176c0e2cc 100644
--- a/doc/html/compute_dpd_atom.html
+++ b/doc/html/compute_dpd_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute erotate/asphere command" href="compute_erotate_asphere.html"/>
+ <link rel="prev" title="compute dpd command" href="compute_dpd.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute dpd/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute dpd/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_erotate_asphere.html" class="btn btn-neutral float-right" title="compute erotate/asphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_dpd.html" class="btn btn-neutral" title="compute dpd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -155,7 +310,7 @@ particles.</p>
<p>This compute calculates a per-particle array with 4 columns (u_cond,
u_mech, u_chem, dpdTheta), which can be accessed by indices 1-4 by any command
that uses per-particle values from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-particle array values will be in energy (u_cond, u_mech, u_chem)
and temperature (dpdTheta) <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -184,6 +339,15 @@ Laboratory, Aberdeen Proving Ground, MD (2014).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_erotate_asphere.html" class="btn btn-neutral float-right" title="compute erotate/asphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_dpd.html" class="btn btn-neutral" title="compute dpd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_erotate_asphere.html b/doc/html/compute_erotate_asphere.html
index 4af35ae60abd35fd3530ea7b259e594cf818a8e7..6d8f6397c906280084777301b65ab786ebd9dcbd 100644
--- a/doc/html/compute_erotate_asphere.html
+++ b/doc/html/compute_erotate_asphere.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute erotate/rigid command" href="compute_erotate_rigid.html"/>
+ <link rel="prev" title="compute dpd/atom command" href="compute_dpd_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,145 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute erotate/asphere command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +252,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute erotate/asphere command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +265,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_erotate_rigid.html" class="btn btn-neutral float-right" title="compute erotate/rigid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_dpd_atom.html" class="btn btn-neutral" title="compute dpd/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -162,7 +316,7 @@ will be the same as in 3d.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a global scalar (the KE). This value can be
used by any command that uses a global scalar value from a compute as
-input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an
+input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an
overview of LAMMPS output options.</p>
<p>The scalar value calculated by this compute is “extensive”. The
scalar value will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -190,6 +344,15 @@ particles.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_erotate_rigid.html" class="btn btn-neutral float-right" title="compute erotate/rigid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_dpd_atom.html" class="btn btn-neutral" title="compute dpd/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_erotate_rigid.html b/doc/html/compute_erotate_rigid.html
index 501319d8c803dfec6bfd1054ef5c9ccbeab7eef4..a8805d69f31f1efcfd46444fe06b2d0db0ff720f 100644
--- a/doc/html/compute_erotate_rigid.html
+++ b/doc/html/compute_erotate_rigid.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute erotate/sphere command" href="compute_erotate_sphere.html"/>
+ <link rel="prev" title="compute erotate/asphere command" href="compute_erotate_asphere.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute erotate/rigid command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute erotate/rigid command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_erotate_sphere.html" class="btn btn-neutral float-right" title="compute erotate/sphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_erotate_asphere.html" class="btn btn-neutral" title="compute erotate/asphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -160,7 +315,7 @@ calculation.</p>
<p>This compute calculates a global scalar (the summed rotational energy
of all the rigid bodies). This value can be used by any command that
uses a global scalar value from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The scalar value calculated by this compute is “extensive”. The
scalar value will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -182,6 +337,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_erotate_sphere.html" class="btn btn-neutral float-right" title="compute erotate/sphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_erotate_asphere.html" class="btn btn-neutral" title="compute erotate/asphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_erotate_sphere.html b/doc/html/compute_erotate_sphere.html
index 4785bf0a12ac549fcab370536c9b482917ead418..769e59fc657351ca609f7027346ebb6105374d0b 100644
--- a/doc/html/compute_erotate_sphere.html
+++ b/doc/html/compute_erotate_sphere.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute erotate/sphere/atom command" href="compute_erotate_sphere_atom.html"/>
+ <link rel="prev" title="compute erotate/rigid command" href="compute_erotate_rigid.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute erotate/sphere command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute erotate/sphere command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_erotate_sphere_atom.html" class="btn btn-neutral float-right" title="compute erotate/sphere/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_erotate_rigid.html" class="btn btn-neutral" title="compute erotate/rigid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -157,7 +312,7 @@ as in 3d.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a global scalar (the KE). This value can be
used by any command that uses a global scalar value from a compute as
-input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an
+input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an
overview of LAMMPS output options.</p>
<p>The scalar value calculated by this compute is “extensive”. The
scalar value will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -182,6 +337,15 @@ contribute to the rotational energy.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_erotate_sphere_atom.html" class="btn btn-neutral float-right" title="compute erotate/sphere/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_erotate_rigid.html" class="btn btn-neutral" title="compute erotate/rigid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_erotate_sphere_atom.html b/doc/html/compute_erotate_sphere_atom.html
index 0ab254c224a11440708a06b7c27a2446bda609e0..f0165b229f42b36ed75d3d68a47916306ddbad9e 100644
--- a/doc/html/compute_erotate_sphere_atom.html
+++ b/doc/html/compute_erotate_sphere_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute event/displace command" href="compute_event_displace.html"/>
+ <link rel="prev" title="compute erotate/sphere command" href="compute_erotate_sphere.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute erotate/sphere/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute erotate/sphere/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_event_displace.html" class="btn btn-neutral float-right" title="compute event/displace command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_erotate_sphere.html" class="btn btn-neutral" title="compute erotate/sphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -160,7 +315,7 @@ in the specified compute group or for point particles with a radius =
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-atom vector values will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
</div>
@@ -181,6 +336,15 @@ LAMMPS output options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_event_displace.html" class="btn btn-neutral float-right" title="compute event/displace command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_erotate_sphere.html" class="btn btn-neutral" title="compute erotate/sphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_event_displace.html b/doc/html/compute_event_displace.html
index e9e283a1d90c4ae34a83f94d116764f961afd3f3..cc8bac2020c287ba6af9f120ff251c86d483b303 100644
--- a/doc/html/compute_event_displace.html
+++ b/doc/html/compute_event_displace.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute fep command" href="compute_fep.html"/>
+ <link rel="prev" title="compute erotate/sphere/atom command" href="compute_erotate_sphere_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute event/displace command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute event/displace command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_fep.html" class="btn btn-neutral float-right" title="compute fep command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_erotate_sphere_atom.html" class="btn btn-neutral" title="compute erotate/sphere/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -165,7 +320,7 @@ local atom displacements and may generate “false postives.”</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a global scalar (the flag). This value can be
used by any command that uses a global scalar value from a compute as
-input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an
+input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an
overview of LAMMPS output options.</p>
<p>The scalar value calculated by this compute is “intensive”. The
scalar value will be a 0 or 1 as explained above.</p>
@@ -188,6 +343,15 @@ for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_fep.html" class="btn btn-neutral float-right" title="compute fep command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_erotate_sphere_atom.html" class="btn btn-neutral" title="compute erotate/sphere/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_fep.html b/doc/html/compute_fep.html
index 0824a98ae4b4f55971eb583c6a2cabe3777c19e2..314da4005169318cf31eaa5700503d54093e3900 100644
--- a/doc/html/compute_fep.html
+++ b/doc/html/compute_fep.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute group/group command" href="compute_group_group.html"/>
+ <link rel="prev" title="compute event/displace command" href="compute_event_displace.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute fep command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute fep command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_group_group.html" class="btn btn-neutral float-right" title="compute group/group command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_event_displace.html" class="btn btn-neutral" title="compute event/displace command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,13 +287,16 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">fep</span> <span class="n">temp</span> <span class="n">attribute</span> <span class="n">args</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in the <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>fep = name of this compute command</li>
-<li>temp = external temperature (as specified for constant-temperature run)</li>
-<li>one or more attributes with args may be appended</li>
-<li>attribute = <em>pair</em> or <em>atom</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in the <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">fep = name of this compute command</p>
+</li>
+<li><p class="first">temp = external temperature (as specified for constant-temperature run)</p>
+</li>
+<li><p class="first">one or more attributes with args may be appended</p>
+</li>
+<li><p class="first">attribute = <em>pair</em> or <em>atom</em></p>
<pre class="literal-block">
<em>pair</em> args = pstyle pparam I J v_delta
pstyle = pair style name, e.g. lj/cut
@@ -149,10 +308,10 @@
I = type to set parameter for
v_delta = variable with perturbation to apply (in the units of the parameter)
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>tail</em> or <em>volume</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>tail</em> or <em>volume</em></p>
<pre class="literal-block">
<em>tail</em> value = <em>no</em> or <em>yes</em>
<em>no</em> = ignore tail correction to pair energies (usually small in fep)
@@ -161,6 +320,8 @@
<em>no</em> = ignore volume changes (e.g. in <em>NVE</em> or <em>NVT</em> trajectories)
<em>yes</em> = include volume changes (e.g. in <em>NpT</em> trajectories)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -355,7 +516,7 @@ pair potential energy obtained with the perturbed parameters and
unperturbed parameters. The energies include kspace terms if these
are used in the simulation.</p>
<p>These output results can be used by any command that uses a global
-scalar or vector from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+scalar or vector from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options. For example, the computed values can be averaged using <a class="reference internal" href="fix_ave_time.html"><span class="doc">fix ave/time</span></a>.</p>
<p>The values calculated by this compute are “extensive”.</p>
</div>
@@ -387,6 +548,15 @@ Liquids, Oxford University Press (1987)</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_group_group.html" class="btn btn-neutral float-right" title="compute group/group command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_event_displace.html" class="btn btn-neutral" title="compute event/displace command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_group_group.html b/doc/html/compute_group_group.html
index a7a46a62368a2da57b650afb2c9c9b019ae5b191..a981fc4c1ec4e7da5d4c63ff7ed3b96e04968279 100644
--- a/doc/html/compute_group_group.html
+++ b/doc/html/compute_group_group.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute gyration command" href="compute_gyration.html"/>
+ <link rel="prev" title="compute fep command" href="compute_fep.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute group/group command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute group/group command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_gyration.html" class="btn btn-neutral float-right" title="compute gyration command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_fep.html" class="btn btn-neutral" title="compute fep command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,18 +286,23 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">group</span><span class="o">/</span><span class="n">group</span> <span class="n">group2</span><span class="o">-</span><span class="n">ID</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>group/group = style name of this compute command</li>
-<li>group2-ID = group ID of second (or same) group</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>pair</em> or <em>kspace</em> or <em>boundary</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">group/group = style name of this compute command</p>
+</li>
+<li><p class="first">group2-ID = group ID of second (or same) group</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>pair</em> or <em>kspace</em> or <em>boundary</em></p>
<pre class="literal-block">
<em>pair</em> value = <em>yes</em> or <em>no</em>
<em>kspace</em> value = <em>yes</em> or <em>no</em>
<em>boundary</em> value = <em>yes</em> or <em>no</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -241,6 +401,15 @@ The <em>ewald</em> and <em>pppm</em> styles do.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_gyration.html" class="btn btn-neutral float-right" title="compute gyration command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_fep.html" class="btn btn-neutral" title="compute fep command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_gyration.html b/doc/html/compute_gyration.html
index 9d92b09b0df8e8422ba99ce532204c17b71ffa1f..4e93eefba2d2eb5b3a2544d1bee38839e08c83c3 100644
--- a/doc/html/compute_gyration.html
+++ b/doc/html/compute_gyration.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute gyration/chunk command" href="compute_gyration_chunk.html"/>
+ <link rel="prev" title="compute group/group command" href="compute_group_group.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute gyration command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute gyration command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_gyration_chunk.html" class="btn btn-neutral float-right" title="compute gyration/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_group_group.html" class="btn btn-neutral" title="compute group/group command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -173,7 +328,7 @@ using the <a class="reference internal" href="set.html"><span class="doc">set im
<p>This compute calculates a global scalar (Rg) and a global vector of
length 6 (Rg^2 tensor), which can be accessed by indices 1-6. These
values can be used by any command that uses a global scalar value or
-vector values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+vector values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The scalar and vector values calculated by this compute are
“intensive”. The scalar and vector values will be in distance and
@@ -196,6 +351,15 @@ distance^2 <a class="reference internal" href="units.html"><span class="doc">uni
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_gyration_chunk.html" class="btn btn-neutral float-right" title="compute gyration/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_group_group.html" class="btn btn-neutral" title="compute group/group command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_gyration_chunk.html b/doc/html/compute_gyration_chunk.html
index 3ec0dca379563949e67e1c890aa4876b4719f2ec..acfef6b894b571066e32cec2d33aa6bc51813cc4 100644
--- a/doc/html/compute_gyration_chunk.html
+++ b/doc/html/compute_gyration_chunk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute heat/flux command" href="compute_heat_flux.html"/>
+ <link rel="prev" title="compute gyration command" href="compute_gyration.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,145 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute gyration/chunk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +252,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute gyration/chunk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +265,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_heat_flux.html" class="btn btn-neutral float-right" title="compute heat/flux command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_gyration.html" class="btn btn-neutral" title="compute gyration command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,16 +285,21 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">gyration</span><span class="o">/</span><span class="n">chunk</span> <span class="n">chunkID</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>gyration/chunk = style name of this compute command</li>
-<li>chunkID = ID of <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>tensor</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">gyration/chunk = style name of this compute command</p>
+</li>
+<li><p class="first">chunkID = ID of <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>tensor</em></p>
<pre class="literal-block">
<em>tensor</em> value = none
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -156,7 +315,7 @@ multiple chunks of atoms.</p>
<p>In LAMMPS, chunks are collections of atoms defined by a <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command, which assigns each atom
to a single chunk (or no chunk). The ID for this command is specified
as chunkID. For example, a single chunk could be the atoms in a
-molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and “<a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section_howto 23</span></a> for details of how chunks can be
+molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and <a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section 6.23</span></a> for details of how chunks can be
defined and examples of how they can be used to measure properties of
a system.</p>
<p>This compute calculates the radius of gyration Rg for each chunk,
@@ -227,6 +386,15 @@ represented by the formula above.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_heat_flux.html" class="btn btn-neutral float-right" title="compute heat/flux command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_gyration.html" class="btn btn-neutral" title="compute gyration command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_heat_flux.html b/doc/html/compute_heat_flux.html
index 1595174920f6c4e7387212b00b2cf2c561d9297a..f066fd43d45d132947812534d5a2764f7f248031 100644
--- a/doc/html/compute_heat_flux.html
+++ b/doc/html/compute_heat_flux.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute hexorder/atom command" href="compute_hexorder_atom.html"/>
+ <link rel="prev" title="compute gyration/chunk command" href="compute_gyration_chunk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute heat/flux command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute heat/flux command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_hexorder_atom.html" class="btn btn-neutral float-right" title="compute hexorder/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_gyration_chunk.html" class="btn btn-neutral" title="compute gyration/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -316,6 +471,15 @@ print "average conductivity: $k[W/mK] @ $T K, ${ndens} /A^3"
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_hexorder_atom.html" class="btn btn-neutral float-right" title="compute hexorder/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_gyration_chunk.html" class="btn btn-neutral" title="compute gyration/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_hexorder_atom.html b/doc/html/compute_hexorder_atom.html
index 7f7ef8f450d8c15fbc8155df617ff220febc2806..ec74833ea5525c1779bad5e8fc260bcc7ce834ea 100644
--- a/doc/html/compute_hexorder_atom.html
+++ b/doc/html/compute_hexorder_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute improper command" href="compute_improper.html"/>
+ <link rel="prev" title="compute heat/flux command" href="compute_heat_flux.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute hexorder/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute hexorder/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_improper.html" class="btn btn-neutral float-right" title="compute improper command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_heat_flux.html" class="btn btn-neutral" title="compute heat/flux command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,17 +287,20 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">hexorder</span><span class="o">/</span><span class="n">atom</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>hexorder/atom = style name of this compute command</li>
-<li>one or more keyword/value pairs may be appended</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">hexorder/atom = style name of this compute command</p>
+</li>
+<li><p class="first">one or more keyword/value pairs may be appended</p>
<pre class="literal-block">
keyword = <em>degree</em> or <em>nnn</em> or <em>cutoff</em>
<em>cutoff</em> value = distance cutoff
<em>nnn</em> value = number of nearest neighbors
<em>degree</em> value = degree <em>n</em> of order parameter
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -183,7 +342,7 @@ In an isotropic liquid, local neighborhoods may still exhibit
weak hexagonal symmetry, but because the orientational correlation
decays quickly with distance, the value of phi will be different for
different atoms, and so when <em>q</em>6 is averaged over all the atoms
-in the system, |<<em>q</em>6>| << 1.</p>
+in the system, \|<<em>q</em>6>\| << 1.</p>
<p>The value of <em>qn</em> is set to zero for atoms not in the
specified compute group, as well as for atoms that have less than
<em>nnn</em> neighbors within the distance cutoff.</p>
@@ -211,7 +370,7 @@ the neighbor list.</p>
real and imaginary parts <em>qn</em>, a complex number restricted to the
unit disk of the complex plane i.e. Re(<em>qn</em>)^2 + Im(<em>qn</em>)^2 <= 1 .</p>
<p>These values can be accessed by any command that uses
-per-atom values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+per-atom values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
</div>
<div class="section" id="restrictions">
@@ -236,6 +395,15 @@ options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_improper.html" class="btn btn-neutral float-right" title="compute improper command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_heat_flux.html" class="btn btn-neutral" title="compute heat/flux command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_improper.html b/doc/html/compute_improper.html
index 5b1e51e336cf8b061c822f3951058aa0acee2bab..d73f97bf7d4b50a4e0f8e172a005d46ebfeee8ef 100644
--- a/doc/html/compute_improper.html
+++ b/doc/html/compute_improper.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute improper/local command" href="compute_improper_local.html"/>
+ <link rel="prev" title="compute hexorder/atom command" href="compute_hexorder_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute improper command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute improper command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_improper_local.html" class="btn btn-neutral float-right" title="compute improper/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_hexorder_atom.html" class="btn btn-neutral" title="compute hexorder/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -176,6 +331,15 @@ options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_improper_local.html" class="btn btn-neutral float-right" title="compute improper/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_hexorder_atom.html" class="btn btn-neutral" title="compute hexorder/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_improper_local.html b/doc/html/compute_improper_local.html
index e676a143c3cb7adc6b65a382195fde81d22fa5a5..b2235734f792b980f09fe293f50463a4ea7740a3 100644
--- a/doc/html/compute_improper_local.html
+++ b/doc/html/compute_improper_local.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute inertia/chunk command" href="compute_inertia_chunk.html"/>
+ <link rel="prev" title="compute improper command" href="compute_improper.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute improper/local command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute improper/local command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_inertia_chunk.html" class="btn btn-neutral float-right" title="compute inertia/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_improper.html" class="btn btn-neutral" title="compute improper command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,15 +286,19 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">improper</span><span class="o">/</span><span class="n">local</span> <span class="n">value1</span> <span class="n">value2</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>improper/local = style name of this compute command</li>
-<li>one or more values may be appended</li>
-<li>value = <em>chi</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">improper/local = style name of this compute command</p>
+</li>
+<li><p class="first">one or more values may be appended</p>
+</li>
+<li><p class="first">value = <em>chi</em></p>
<pre class="literal-block">
<em>chi</em> = tabulate improper angles
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -202,6 +361,15 @@ options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_inertia_chunk.html" class="btn btn-neutral float-right" title="compute inertia/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_improper.html" class="btn btn-neutral" title="compute improper command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_inertia_chunk.html b/doc/html/compute_inertia_chunk.html
index d718f90f47de7ddd9a1dc3adad7b3241a2a072ab..9f8e12210fd234bfac873fe94bbfecdc4ffc55d8 100644
--- a/doc/html/compute_inertia_chunk.html
+++ b/doc/html/compute_inertia_chunk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute ke command" href="compute_ke.html"/>
+ <link rel="prev" title="compute improper/local command" href="compute_improper_local.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute inertia/chunk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute inertia/chunk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_ke.html" class="btn btn-neutral float-right" title="compute ke command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_improper_local.html" class="btn btn-neutral" title="compute improper/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -150,7 +305,7 @@ chunks of atoms.</p>
<p>In LAMMPS, chunks are collections of atoms defined by a <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command, which assigns each atom
to a single chunk (or no chunk). The ID for this command is specified
as chunkID. For example, a single chunk could be the atoms in a
-molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and “<a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section_howto 23</span></a> for details of how chunks can be
+molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and <a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section 6.23</span></a> for details of how chunks can be
defined and examples of how they can be used to measure properties of
a system.</p>
<p>This compute calculates the 6 components of the symmetric intertia
@@ -187,7 +342,7 @@ fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
number of chunks <em>Nchunk</em> as calculated by the specified <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command. The number of columns =
6 for the 6 components of the inertia tensor for each chunk, ordered
as listed above. These values can be accessed by any command that
-uses global array values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+uses global array values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The array values are “intensive”. The array values will be in
mass*distance^2 <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -209,6 +364,15 @@ mass*distance^2 <a class="reference internal" href="units.html"><span class="doc
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_ke.html" class="btn btn-neutral float-right" title="compute ke command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_improper_local.html" class="btn btn-neutral" title="compute improper/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_ke.html b/doc/html/compute_ke.html
index a3000f0f0d58b261124dc25fba11ad4384645bec..3da10bdcdb7c798df122699932c2ea3de6d3fa81 100644
--- a/doc/html/compute_ke.html
+++ b/doc/html/compute_ke.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute ke/atom command" href="compute_ke_atom.html"/>
+ <link rel="prev" title="compute inertia/chunk command" href="compute_inertia_chunk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute ke command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute ke command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_ke_atom.html" class="btn btn-neutral float-right" title="compute ke/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_inertia_chunk.html" class="btn btn-neutral" title="compute inertia/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -163,7 +318,7 @@ include different degrees of freedom (translational, rotational, etc).</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a global scalar (the summed KE). This value
can be used by any command that uses a global scalar value from a
-compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a>
+compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a>
for an overview of LAMMPS output options.</p>
<p>The scalar value calculated by this compute is “extensive”. The
scalar value will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -185,6 +340,15 @@ scalar value will be in energy <a class="reference internal" href="units.html"><
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_ke_atom.html" class="btn btn-neutral float-right" title="compute ke/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_inertia_chunk.html" class="btn btn-neutral" title="compute inertia/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_ke_atom.html b/doc/html/compute_ke_atom.html
index ea8c40a8bb72829e81aac6bd23ec2867a0a57e55..b32a5af42e2fe8db486f28fdfce60e740214389f 100644
--- a/doc/html/compute_ke_atom.html
+++ b/doc/html/compute_ke_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute ke/atom/eff command" href="compute_ke_atom_eff.html"/>
+ <link rel="prev" title="compute ke command" href="compute_ke.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute ke/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute ke/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_ke_atom_eff.html" class="btn btn-neutral float-right" title="compute ke/atom/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_ke.html" class="btn btn-neutral" title="compute ke command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -153,7 +308,7 @@ specified compute group.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-atom vector values will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
</div>
@@ -174,6 +329,15 @@ LAMMPS output options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_ke_atom_eff.html" class="btn btn-neutral float-right" title="compute ke/atom/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_ke.html" class="btn btn-neutral" title="compute ke command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_ke_atom_eff.html b/doc/html/compute_ke_atom_eff.html
index 6a017dc79be419ef8216eaaa0a8a889278782a9b..72d7af58039ab4166ca07393ef25d32351a5b617 100644
--- a/doc/html/compute_ke_atom_eff.html
+++ b/doc/html/compute_ke_atom_eff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute ke/eff command" href="compute_ke_eff.html"/>
+ <link rel="prev" title="compute ke/atom command" href="compute_ke_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute ke/atom/eff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute ke/atom/eff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_ke_eff.html" class="btn btn-neutral float-right" title="compute ke/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_ke_atom.html" class="btn btn-neutral" title="compute ke/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -178,7 +333,7 @@ electrons) not in the specified compute group.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a scalar quantity for each atom, which can be
accessed by any command that uses per-atom computes as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-atom vector values will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
</div>
@@ -199,6 +354,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_ke_eff.html" class="btn btn-neutral float-right" title="compute ke/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_ke_atom.html" class="btn btn-neutral" title="compute ke/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_ke_eff.html b/doc/html/compute_ke_eff.html
index ff0e0b4e68278870b4091c0b121cfd6e795b210d..ee502274a16eda2a46f1af0de6e751679e1aff72 100644
--- a/doc/html/compute_ke_eff.html
+++ b/doc/html/compute_ke_eff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute ke/rigid command" href="compute_ke_rigid.html"/>
+ <link rel="prev" title="compute ke/atom/eff command" href="compute_ke_atom_eff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,145 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute ke/eff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +252,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute ke/eff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +265,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_ke_rigid.html" class="btn btn-neutral float-right" title="compute ke/rigid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_ke_atom_eff.html" class="btn btn-neutral" title="compute ke/atom/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -178,7 +332,7 @@ thermo_modify temp effTemp
<p><strong>Output info:</strong></p>
<p>This compute calculates a global scalar (the KE). This value can be
used by any command that uses a global scalar value from a compute as
-input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an
+input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an
overview of LAMMPS output options.</p>
<p>The scalar value calculated by this compute is “extensive”. The
scalar value will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -197,6 +351,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_ke_rigid.html" class="btn btn-neutral float-right" title="compute ke/rigid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_ke_atom_eff.html" class="btn btn-neutral" title="compute ke/atom/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_ke_rigid.html b/doc/html/compute_ke_rigid.html
index 27c5451b252070e13c90cadaf8ac9b6fa2574151..58bc9952fc43089d258bd17e8c2acbcc8575fbba 100644
--- a/doc/html/compute_ke_rigid.html
+++ b/doc/html/compute_ke_rigid.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute meso/e/atom command" href="compute_meso_e_atom.html"/>
+ <link rel="prev" title="compute ke/eff command" href="compute_ke_eff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute ke/rigid command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute ke/rigid command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_meso_e_atom.html" class="btn btn-neutral float-right" title="compute meso/e/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_ke_eff.html" class="btn btn-neutral" title="compute ke/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -158,7 +313,7 @@ calculation.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a global scalar (the summed KE of all the
rigid bodies). This value can be used by any command that uses a
-global scalar value from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+global scalar value from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The scalar value calculated by this compute is “extensive”. The
scalar value will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -180,6 +335,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_meso_e_atom.html" class="btn btn-neutral float-right" title="compute meso/e/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_ke_eff.html" class="btn btn-neutral" title="compute ke/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_meso_e_atom.html b/doc/html/compute_meso_e_atom.html
index 21b1e955537c2c51f5ab3b6bfce7e684fdb02f28..2b3531024700524edc5dfcb0d57ffa741173f978 100644
--- a/doc/html/compute_meso_e_atom.html
+++ b/doc/html/compute_meso_e_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute meso/rho/atom command" href="compute_meso_rho_atom.html"/>
+ <link rel="prev" title="compute ke/rigid command" href="compute_ke_rigid.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute meso/e/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute meso/e/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_meso_rho_atom.html" class="btn btn-neutral float-right" title="compute meso/rho/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_ke_rigid.html" class="btn btn-neutral" title="compute ke/rigid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -156,7 +311,7 @@ specified compute group.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-atom vector values will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
</div>
@@ -177,6 +332,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_meso_rho_atom.html" class="btn btn-neutral float-right" title="compute meso/rho/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_ke_rigid.html" class="btn btn-neutral" title="compute ke/rigid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_meso_rho_atom.html b/doc/html/compute_meso_rho_atom.html
index dd832b844de7770e3d458bff9510548788debc7c..ddfd1a5679d466db22958797656daf18d7bd9752 100644
--- a/doc/html/compute_meso_rho_atom.html
+++ b/doc/html/compute_meso_rho_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute meso/t/atom command" href="compute_meso_t_atom.html"/>
+ <link rel="prev" title="compute meso/e/atom command" href="compute_meso_e_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute meso/rho/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute meso/rho/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_meso_t_atom.html" class="btn btn-neutral float-right" title="compute meso/t/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_meso_e_atom.html" class="btn btn-neutral" title="compute meso/e/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -156,7 +311,7 @@ specified compute group.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-atom vector values will be in mass/volume <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
</div>
@@ -177,6 +332,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_meso_t_atom.html" class="btn btn-neutral float-right" title="compute meso/t/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_meso_e_atom.html" class="btn btn-neutral" title="compute meso/e/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_meso_t_atom.html b/doc/html/compute_meso_t_atom.html
index 6ad9fd81066d67d1ad26258059821349135def49..8fd676ccbe5636a7ce4864cfc86a4acae2e53e4c 100644
--- a/doc/html/compute_meso_t_atom.html
+++ b/doc/html/compute_meso_t_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute msd command" href="compute_msd.html"/>
+ <link rel="prev" title="compute meso/rho/atom command" href="compute_meso_rho_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute meso/t/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute meso/t/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_msd.html" class="btn btn-neutral float-right" title="compute msd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_meso_rho_atom.html" class="btn btn-neutral" title="compute meso/rho/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -157,7 +312,7 @@ specified compute group.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-atom vector values will be in temperature <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
</div>
@@ -178,6 +333,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_msd.html" class="btn btn-neutral float-right" title="compute msd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_meso_rho_atom.html" class="btn btn-neutral" title="compute meso/rho/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_modify.html b/doc/html/compute_modify.html
index 6556686bb958579193e8cf38080434ae2ad9120b..b2c85ceea433dec7b87a69478abdc40e02b7e514 100644
--- a/doc/html/compute_modify.html
+++ b/doc/html/compute_modify.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="create_atoms command" href="create_atoms.html"/>
+ <link rel="prev" title="compute command" href="compute.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute_modify command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>compute_modify command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="create_atoms.html" class="btn btn-neutral float-right" title="create_atoms command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute.html" class="btn btn-neutral" title="compute command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,17 +275,20 @@
<pre class="literal-block">
compute_modify compute-ID keyword value ...
</pre>
-<ul class="simple">
-<li>compute-ID = ID of the compute to modify</li>
-<li>one or more keyword/value pairs may be listed</li>
-<li>keyword = <em>extra</em> or <em>dynamic</em></li>
-</ul>
+<ul>
+<li><p class="first">compute-ID = ID of the compute to modify</p>
+</li>
+<li><p class="first">one or more keyword/value pairs may be listed</p>
+</li>
+<li><p class="first">keyword = <em>extra</em> or <em>dynamic</em></p>
<pre class="literal-block">
<em>extra</em> value = N
N = # of extra degrees of freedom to subtract
<em>dynamic</em> value = <em>yes</em> or <em>no</em>
yes/no = do or do not recompute the number of atoms contributing to the temperature
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -192,6 +339,15 @@ dynamic = no.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="create_atoms.html" class="btn btn-neutral float-right" title="create_atoms command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute.html" class="btn btn-neutral" title="compute command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_msd.html b/doc/html/compute_msd.html
index 71b3e590855915697a6f5c341a1b3d032c1f4643..9f2bcecb6c642b5627fbe019aa4c6044b5ee4593 100644
--- a/doc/html/compute_msd.html
+++ b/doc/html/compute_msd.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute msd/chunk command" href="compute_msd_chunk.html"/>
+ <link rel="prev" title="compute meso/t/atom command" href="compute_meso_t_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute msd command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute msd command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_msd_chunk.html" class="btn btn-neutral float-right" title="compute msd/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_meso_t_atom.html" class="btn btn-neutral" title="compute meso/t/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,16 +287,20 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">msd</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>msd = style name of this compute command</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>com</em> or <em>average</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">msd = style name of this compute command</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>com</em> or <em>average</em></p>
<pre class="literal-block">
<em>com</em> value = <em>yes</em> or <em>no</em>
<em>average</em> value = <em>yes</em> or <em>no</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -237,6 +397,15 @@ distance^2 <a class="reference internal" href="units.html"><span class="doc">uni
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_msd_chunk.html" class="btn btn-neutral float-right" title="compute msd/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_meso_t_atom.html" class="btn btn-neutral" title="compute meso/t/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_msd_chunk.html b/doc/html/compute_msd_chunk.html
index 2ef599ab249813b994442647a4157e6981a524ab..1edad14c7502529953b52b710f8f7c33a865123c 100644
--- a/doc/html/compute_msd_chunk.html
+++ b/doc/html/compute_msd_chunk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute msd/nongauss command" href="compute_msd_nongauss.html"/>
+ <link rel="prev" title="compute msd command" href="compute_msd.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute msd/chunk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute msd/chunk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_msd_nongauss.html" class="btn btn-neutral float-right" title="compute msd/nongauss command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_msd.html" class="btn btn-neutral" title="compute msd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -150,7 +305,7 @@
<p>In LAMMPS, chunks are collections of atoms defined by a <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command, which assigns each atom
to a single chunk (or no chunk). The ID for this command is specified
as chunkID. For example, a single chunk could be the atoms in a
-molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and “<a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section_howto 23</span></a> for details of how chunks can be
+molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and <a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section 6.23</span></a> for details of how chunks can be
defined and examples of how they can be used to measure properties of
a system.</p>
<p>Four quantites are calculated by this compute for each chunk. The
@@ -245,6 +400,15 @@ distance^2 <a class="reference internal" href="units.html"><span class="doc">uni
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_msd_nongauss.html" class="btn btn-neutral float-right" title="compute msd/nongauss command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_msd.html" class="btn btn-neutral" title="compute msd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_msd_nongauss.html b/doc/html/compute_msd_nongauss.html
index a185b2a47017748f85422ee9f267cbcc0fe8d252..2b6544efcc08ed1b3b1d2a2f749ee66c71af5d84 100644
--- a/doc/html/compute_msd_nongauss.html
+++ b/doc/html/compute_msd_nongauss.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute omega/chunk command" href="compute_omega_chunk.html"/>
+ <link rel="prev" title="compute msd/chunk command" href="compute_msd_chunk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute msd/nongauss command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute msd/nongauss command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_omega_chunk.html" class="btn btn-neutral float-right" title="compute omega/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_msd_chunk.html" class="btn btn-neutral" title="compute msd/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,15 +287,19 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">msd</span><span class="o">/</span><span class="n">nongauss</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>msd/nongauss = style name of this compute command</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>com</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">msd/nongauss = style name of this compute command</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>com</em></p>
<pre class="literal-block">
<em>com</em> value = <em>yes</em> or <em>no</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -200,6 +360,15 @@ was built with that package. See the <a class="reference internal" href="Sectio
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_omega_chunk.html" class="btn btn-neutral float-right" title="compute omega/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_msd_chunk.html" class="btn btn-neutral" title="compute msd/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_omega_chunk.html b/doc/html/compute_omega_chunk.html
index cb2e60090129d8120eaadc680129b49421bf4f61..8fc318357ce29dcfecbf253d5d37415aed382724 100644
--- a/doc/html/compute_omega_chunk.html
+++ b/doc/html/compute_omega_chunk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute orientorder/atom command" href="compute_orientorder_atom.html"/>
+ <link rel="prev" title="compute msd/nongauss command" href="compute_msd_nongauss.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute omega/chunk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute omega/chunk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_orientorder_atom.html" class="btn btn-neutral float-right" title="compute orientorder/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_msd_nongauss.html" class="btn btn-neutral" title="compute msd/nongauss command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -150,7 +305,7 @@ multiple chunks of atoms.</p>
<p>In LAMMPS, chunks are collections of atoms defined by a <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command, which assigns each atom
to a single chunk (or no chunk). The ID for this command is specified
as chunkID. For example, a single chunk could be the atoms in a
-molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and “<a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section_howto 23</span></a> for details of how chunks can be
+molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and <a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section 6.23</span></a> for details of how chunks can be
defined and examples of how they can be used to measure properties of
a system.</p>
<p>This compute calculates the 3 components of the angular velocity
@@ -188,7 +343,7 @@ fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
number of chunks <em>Nchunk</em> as calculated by the specified <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command. The number of columns =
3 for the 3 xyz components of the angular velocity for each chunk.
These values can be accessed by any command that uses global array
-values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The array values are “intensive”. The array values will be in
velocity/distance <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -210,6 +365,15 @@ velocity/distance <a class="reference internal" href="units.html"><span class="d
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_orientorder_atom.html" class="btn btn-neutral float-right" title="compute orientorder/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_msd_nongauss.html" class="btn btn-neutral" title="compute msd/nongauss command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_orientorder_atom.html b/doc/html/compute_orientorder_atom.html
index f3d10f42e9e84b8553d5adb4467fd24ec1d436f7..abdf5491fb9e96834b9b7ae801ec524fda7f3b6c 100644
--- a/doc/html/compute_orientorder_atom.html
+++ b/doc/html/compute_orientorder_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute pair command" href="compute_pair.html"/>
+ <link rel="prev" title="compute omega/chunk command" href="compute_omega_chunk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute orientorder/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute orientorder/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_pair.html" class="btn btn-neutral float-right" title="compute pair command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_omega_chunk.html" class="btn btn-neutral" title="compute omega/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,17 +287,20 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">orientorder</span><span class="o">/</span><span class="n">atom</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>orientorder/atom = style name of this compute command</li>
-<li>one or more keyword/value pairs may be appended</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">orientorder/atom = style name of this compute command</p>
+</li>
+<li><p class="first">one or more keyword/value pairs may be appended</p>
<pre class="literal-block">
keyword = <em>cutoff</em> or <em>nnn</em> or <em>ql</em>
<em>cutoff</em> value = distance cutoff
<em>nnn</em> value = number of nearest neighbors
<em>degrees</em> values = nlvalues, l1, l2,...
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -214,7 +373,7 @@ the neighbor list.</p>
<p>This compute calculates a per-atom array with <em>nlvalues</em> columns, giving the
<em>Ql</em> values for each atom, which are real numbers on the range 0 <= <em>Ql</em> <= 1.</p>
<p>These values can be accessed by any command that uses
-per-atom values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+per-atom values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
</div>
<div class="section" id="restrictions">
@@ -240,6 +399,15 @@ options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_pair.html" class="btn btn-neutral float-right" title="compute pair command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_omega_chunk.html" class="btn btn-neutral" title="compute omega/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_pair.html b/doc/html/compute_pair.html
index a38d482dcba61aefb0dd8369f90250068f30a0b5..c318802cc13c82ef48c88a56d3db9f12ece088e1 100644
--- a/doc/html/compute_pair.html
+++ b/doc/html/compute_pair.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute pair/local command" href="compute_pair_local.html"/>
+ <link rel="prev" title="compute orientorder/atom command" href="compute_orientorder_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute pair command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute pair command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_pair_local.html" class="btn btn-neutral float-right" title="compute pair/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_orientorder_atom.html" class="btn btn-neutral" title="compute orientorder/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -209,6 +365,15 @@ the doc page for the pair style for details.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_pair_local.html" class="btn btn-neutral float-right" title="compute pair/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_orientorder_atom.html" class="btn btn-neutral" title="compute orientorder/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_pair_local.html b/doc/html/compute_pair_local.html
index 5bcc7b6e8eb9ba39cce82d5759ab8a9c5bf9592a..ff6ed23713488d8fe7980fdb3925a3565a3f764d 100644
--- a/doc/html/compute_pair_local.html
+++ b/doc/html/compute_pair_local.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute pe command" href="compute_pe.html"/>
+ <link rel="prev" title="compute pair command" href="compute_pair.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute pair/local command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute pair/local command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_pe.html" class="btn btn-neutral float-right" title="compute pe command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_pair.html" class="btn btn-neutral" title="compute pair command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +287,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">pair</span><span class="o">/</span><span class="n">local</span> <span class="n">value1</span> <span class="n">value2</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">args</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>pair/local = style name of this compute command</li>
-<li>one or more values may be appended</li>
-<li>value = <em>dist</em> or <em>eng</em> or <em>force</em> or <em>fx</em> or <em>fy</em> or <em>fz</em> or <em>pN</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">pair/local = style name of this compute command</p>
+</li>
+<li><p class="first">one or more values may be appended</p>
+</li>
+<li><p class="first">value = <em>dist</em> or <em>eng</em> or <em>force</em> or <em>fx</em> or <em>fy</em> or <em>fz</em> or <em>pN</em></p>
<pre class="literal-block">
<em>dist</em> = pairwise distance
<em>eng</em> = pairwise energy
@@ -144,13 +302,15 @@
<em>fx</em>,<em>fy</em>,<em>fz</em> = components of pairwise force
<em>pN</em> = pair style specific quantities for allowed N values
</pre>
-<ul class="simple">
-<li>zero or more keyword/arg pairs may be appended</li>
-<li>keyword = <em>cutoff</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/arg pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>cutoff</em></p>
<pre class="literal-block">
<em>cutoff</em> arg = <em>type</em> or <em>radius</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -262,6 +422,15 @@ The outpur for <em>pN</em> will be in whatever units the pair style defines.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_pe.html" class="btn btn-neutral float-right" title="compute pe command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_pair.html" class="btn btn-neutral" title="compute pair command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_pe.html b/doc/html/compute_pe.html
index 6d81108da59ff5c4284fb25b08fdbad947cb61b1..a9f3bba77a7619da6f46ebfcde7faafc8eb2042f 100644
--- a/doc/html/compute_pe.html
+++ b/doc/html/compute_pe.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute pe/atom command" href="compute_pe_atom.html"/>
+ <link rel="prev" title="compute pair/local command" href="compute_pair_local.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute pe command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute pe command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_pe_atom.html" class="btn btn-neutral float-right" title="compute pe/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_pair_local.html" class="btn btn-neutral" title="compute pair/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -181,7 +336,7 @@ compute thermo_pe all pe
<p><strong>Output info:</strong></p>
<p>This compute calculates a global scalar (the potential energy). This
value can be used by any command that uses a global scalar value from
-a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The scalar value calculated by this compute is “extensive”. The
scalar value will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -203,6 +358,15 @@ scalar value will be in energy <a class="reference internal" href="units.html"><
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_pe_atom.html" class="btn btn-neutral float-right" title="compute pe/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_pair_local.html" class="btn btn-neutral" title="compute pair/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_pe_atom.html b/doc/html/compute_pe_atom.html
index b5de90dfdb5a86294573d596eae845ff5a7ab048..2ebcf1b1f7e32d7906d55bb50ead12d8d6099fc8 100644
--- a/doc/html/compute_pe_atom.html
+++ b/doc/html/compute_pe_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute plasticity/atom command" href="compute_plasticity_atom.html"/>
+ <link rel="prev" title="compute pe command" href="compute_pe.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute pe/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute pe/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_plasticity_atom.html" class="btn btn-neutral float-right" title="compute plasticity/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_pe.html" class="btn btn-neutral" title="compute pe command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -199,7 +354,7 @@ those are global contributions to the system energy.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-atom vector values will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
</div>
@@ -220,6 +375,15 @@ LAMMPS output options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_plasticity_atom.html" class="btn btn-neutral float-right" title="compute plasticity/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_pe.html" class="btn btn-neutral" title="compute pe command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_plasticity_atom.html b/doc/html/compute_plasticity_atom.html
index 54bffecbd2bf3e5bd85d95e5a82b1f45c31ebb59..761215a62f6fd3c5cef114bfb853f43c9aacf480 100644
--- a/doc/html/compute_plasticity_atom.html
+++ b/doc/html/compute_plasticity_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute pressure command" href="compute_pressure.html"/>
+ <link rel="prev" title="compute pe/atom command" href="compute_pe_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute plasticity/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute plasticity/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_pressure.html" class="btn btn-neutral float-right" title="compute pressure command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_pe_atom.html" class="btn btn-neutral" title="compute pe/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -183,6 +338,15 @@ viscoelasticity model for peridynamics”, Sandia National Lab Report,
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_pressure.html" class="btn btn-neutral float-right" title="compute pressure command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_pe_atom.html" class="btn btn-neutral" title="compute pe/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_pressure.html b/doc/html/compute_pressure.html
index 1d117a4f5e74751e0be4827d0601222f6aa7167c..ea40c6b5aba9ab89f2633e58e9de70a70b4a4627 100644
--- a/doc/html/compute_pressure.html
+++ b/doc/html/compute_pressure.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute property/atom command" href="compute_property_atom.html"/>
+ <link rel="prev" title="compute plasticity/atom command" href="compute_plasticity_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute pressure command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute pressure command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_property_atom.html" class="btn btn-neutral float-right" title="compute property/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_plasticity_atom.html" class="btn btn-neutral" title="compute plasticity/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -205,7 +360,7 @@ compute thermo_press all pressure thermo_temp
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -215,7 +370,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Output info:</strong></p>
@@ -248,6 +403,15 @@ options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_property_atom.html" class="btn btn-neutral float-right" title="compute property/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_plasticity_atom.html" class="btn btn-neutral" title="compute plasticity/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_property_atom.html b/doc/html/compute_property_atom.html
index f91b814e33e1b4ec3ee6fbbce497faebfd45ec4a..27623e0526111e9da97f7e253ee1bba677899619 100644
--- a/doc/html/compute_property_atom.html
+++ b/doc/html/compute_property_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute property/chunk command" href="compute_property_chunk.html"/>
+ <link rel="prev" title="compute pressure command" href="compute_pressure.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute property/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute property/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_property_chunk.html" class="btn btn-neutral float-right" title="compute property/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_pressure.html" class="btn btn-neutral" title="compute pressure command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,27 +286,28 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="nb">property</span><span class="o">/</span><span class="n">atom</span> <span class="n">input1</span> <span class="n">input2</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>property/atom = style name of this compute command</li>
-<li>input = one or more atom attributes</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">property/atom = style name of this compute command</p>
+</li>
+<li><p class="first">input = one or more atom attributes</p>
<pre class="literal-block">
possible attributes = id, mol, proc, type, mass,
- x, y, z, xs, ys, zs, xu, yu, zu, ix, iy, iz,
- vx, vy, vz, fx, fy, fz,
+ x, y, z, xs, ys, zs, xu, yu, zu, ix, iy, iz,
+ vx, vy, vz, fx, fy, fz,
q, mux, muy, muz, mu,
radius, diameter, omegax, omegay, omegaz,
- angmomx, angmomy, angmomz,
- shapex,shapey, shapez,
- quatw, quati, quatj, quatk, tqx, tqy, tqz,
- end1x, end1y, end1z, end2x, end2y, end2z,
- corner1x, corner1y, corner1z,
- corner2x, corner2y, corner2z,
- corner3x, corner3y, corner3z,
- nbonds,
+ angmomx, angmomy, angmomz,
+ shapex,shapey, shapez,
+ quatw, quati, quatj, quatk, tqx, tqy, tqz,
+ end1x, end1y, end1z, end2x, end2y, end2z,
+ corner1x, corner1y, corner1z,
+ corner2x, corner2y, corner2z,
+ corner3x, corner3y, corner3z,
+ nbonds,
vfrac, s0,
- spin, eradius, ervel, erforce,
+ spin, eradius, ervel, erforce,
rho, drho, e, de, cv,
i_name, d_name
</pre>
@@ -205,6 +361,8 @@ cv = ???
i_name = custom integer vector with name
d_name = custom integer vector with name
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -284,6 +442,15 @@ units for q, etc.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_property_chunk.html" class="btn btn-neutral float-right" title="compute property/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_pressure.html" class="btn btn-neutral" title="compute pressure command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_property_chunk.html b/doc/html/compute_property_chunk.html
index 7cf73b649de0228d73dde011edf163c88948e878..c2944a0e1b50afe6b6458fddca475122f6c7490e 100644
--- a/doc/html/compute_property_chunk.html
+++ b/doc/html/compute_property_chunk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute property/local command" href="compute_property_local.html"/>
+ <link rel="prev" title="compute property/atom command" href="compute_property_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute property/chunk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute property/chunk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_property_local.html" class="btn btn-neutral float-right" title="compute property/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_property_atom.html" class="btn btn-neutral" title="compute property/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,17 +286,20 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="nb">property</span><span class="o">/</span><span class="n">chunk</span> <span class="n">chunkID</span> <span class="n">input1</span> <span class="n">input2</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>property/chunk = style name of this compute command</li>
-<li>input = one or more attributes</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">property/chunk = style name of this compute command</p>
+</li>
+<li><p class="first">input = one or more attributes</p>
<pre class="literal-block">
attributes = count, id, coord1, coord2, coord3
count = # of atoms in chunk
id = original chunk IDs before compression by <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a>
coord123 = coordinates for spatial bins calculated by <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -157,7 +315,7 @@ atoms.</p>
<p>In LAMMPS, chunks are collections of atoms defined by a <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command, which assigns each atom
to a single chunk (or no chunk). The ID for this command is specified
as chunkID. For example, a single chunk could be the atoms in a
-molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and “<a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section_howto 23</span></a> for details of how chunks can be
+molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and <a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section 6.23</span></a> for details of how chunks can be
defined and examples of how they can be used to measure properties of
a system.</p>
<p>This compute calculates and stores the specified attributes of chunks
@@ -231,6 +389,15 @@ unitless or in the units discussed above.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_property_local.html" class="btn btn-neutral float-right" title="compute property/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_property_atom.html" class="btn btn-neutral" title="compute property/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_property_local.html b/doc/html/compute_property_local.html
index 2d5eed0f933eb8641cb71de19d15ce6b319dcf01..49512210b15a1bf3d9059f24e3d8acb1f35e3f24 100644
--- a/doc/html/compute_property_local.html
+++ b/doc/html/compute_property_local.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute rdf command" href="compute_rdf.html"/>
+ <link rel="prev" title="compute property/chunk command" href="compute_property_chunk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute property/local command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute property/local command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_rdf.html" class="btn btn-neutral float-right" title="compute rdf command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_property_chunk.html" class="btn btn-neutral" title="compute property/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,13 +287,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="nb">property</span><span class="o">/</span><span class="n">local</span> <span class="n">attribute1</span> <span class="n">attribute2</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">args</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>property/local = style name of this compute command</li>
-<li>one or more attributes may be appended</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">property/local = style name of this compute command</p>
+</li>
+<li><p class="first">one or more attributes may be appended</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">possible</span> <span class="n">attributes</span> <span class="o">=</span> <span class="n">natom1</span> <span class="n">natom2</span> <span class="n">ntype1</span> <span class="n">ntype2</span>
- <span class="n">patom1</span> <span class="n">patom2</span> <span class="n">ptype1</span> <span class="n">ptype2</span>
+ <span class="n">patom1</span> <span class="n">patom2</span> <span class="n">ptype1</span> <span class="n">ptype2</span>
<span class="n">batom1</span> <span class="n">batom2</span> <span class="n">btype</span>
<span class="n">aatom1</span> <span class="n">aatom2</span> <span class="n">aatom3</span> <span class="n">atype</span>
<span class="n">datom1</span> <span class="n">datom2</span> <span class="n">datom3</span> <span class="n">dtype</span>
@@ -158,13 +315,15 @@
<span class="n">itype</span> <span class="o">=</span> <span class="n">improper</span> <span class="nb">type</span> <span class="n">of</span> <span class="n">each</span> <span class="n">improper</span>
</pre></div>
</div>
-<ul class="simple">
-<li>zero or more keyword/arg pairs may be appended</li>
-<li>keyword = <em>cutoff</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/arg pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>cutoff</em></p>
<pre class="literal-block">
<em>cutoff</em> arg = <em>type</em> or <em>radius</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -279,6 +438,15 @@ specified attribute.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_rdf.html" class="btn btn-neutral float-right" title="compute rdf command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_property_chunk.html" class="btn btn-neutral" title="compute property/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_rdf.html b/doc/html/compute_rdf.html
index 7565e4888fc7f71841518108895b592d0f04e6e5..17c4d38595d655ab5144f48fb705c6a3d244792b 100644
--- a/doc/html/compute_rdf.html
+++ b/doc/html/compute_rdf.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute reduce command" href="compute_reduce.html"/>
+ <link rel="prev" title="compute property/local command" href="compute_property_local.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute rdf command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute rdf command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_reduce.html" class="btn btn-neutral float-right" title="compute reduce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_property_local.html" class="btn btn-neutral" title="compute property/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -238,7 +393,7 @@ coordinate (center of the bin), Each successive set of 2 columns has
the g(r) and coord(r) values for a specific set of <em>itypeN</em> versus
<em>jtypeN</em> interactions, as described above. These values can be used
by any command that uses a global values from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The array values calculated by this compute are all “intensive”.</p>
<p>The first column of array values will be in distance
@@ -276,6 +431,15 @@ change from zero to one at the location of the spike in g(r).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_reduce.html" class="btn btn-neutral float-right" title="compute reduce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_property_local.html" class="btn btn-neutral" title="compute property/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_reduce.html b/doc/html/compute_reduce.html
index 56a155c53a32bd94cb01a9b97b9a00789a4a8bd9..4db6fde3d73efc68a5b18f5602a4cdf6b32d0d06 100644
--- a/doc/html/compute_reduce.html
+++ b/doc/html/compute_reduce.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute rigid/local command" href="compute_rigid_local.html"/>
+ <link rel="prev" title="compute rdf command" href="compute_rdf.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#compute-reduce-region-command">compute reduce/region command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute reduce command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_rigid_local.html" class="btn btn-neutral float-right" title="compute rigid/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_rdf.html" class="btn btn-neutral" title="compute rdf command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -134,20 +289,21 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">style</span> <span class="n">arg</span> <span class="n">mode</span> <span class="n">input1</span> <span class="n">input2</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">args</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>style = <em>reduce</em> or <em>reduce/region</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">style = <em>reduce</em> or <em>reduce/region</em></p>
<pre class="literal-block">
<em>reduce</em> arg = none
<em>reduce/region</em> arg = region-ID
region-ID = ID of region to use for choosing atoms
</pre>
-<ul class="simple">
-<li>mode = <em>sum</em> or <em>min</em> or <em>max</em> or <em>ave</em> or <em>sumsq</em> or <em>avesq</em></li>
-<li>one or more inputs can be listed</li>
-<li>input = x, y, z, vx, vy, vz, fx, fy, fz, c_ID, c_ID[N], f_ID, f_ID[N], v_name</li>
-</ul>
+</li>
+<li><p class="first">mode = <em>sum</em> or <em>min</em> or <em>max</em> or <em>ave</em> or <em>sumsq</em> or <em>avesq</em></p>
+</li>
+<li><p class="first">one or more inputs can be listed</p>
+</li>
+<li><p class="first">input = x, y, z, vx, vy, vz, fx, fy, fz, c_ID, c_ID[N], f_ID, f_ID[N], v_name</p>
<pre class="literal-block">
x,y,z,vx,vy,vz,fx,fy,fz = atom attribute (position, velocity, force component)
c_ID = per-atom or local vector calculated by a compute with ID
@@ -156,15 +312,17 @@ f_ID = per-atom or local vector calculated by a fix with ID
f_ID[I] = Ith column of per-atom or local array calculated by a fix with ID, I can include wildcard (see below)
v_name = per-atom vector calculated by an atom-style variable with name
</pre>
-<ul class="simple">
-<li>zero or more keyword/args pairs may be appended</li>
-<li>keyword = <em>replace</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/args pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>replace</em></p>
<pre class="literal-block">
<em>replace</em> args = vec1 vec2
vec1 = reduced value from this input vector will be replaced
vec2 = replace it with vec1[N] where N is index of max/min value from vec2
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -300,7 +458,7 @@ values are desired, this compute can be accessed by the <a class="reference inte
specified or a global vector of length N where N is the number of
inputs, and which can be accessed by indices 1 to N. These values can
be used by any command that uses global scalar or vector values from a
-compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a>
+compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a>
for an overview of LAMMPS output options.</p>
<p>All the scalar or vector values calculated by this compute are
“intensive”, except when the <em>sum</em> or <em>sumsq</em> modes are used on
@@ -326,6 +484,15 @@ quantities being reduced are in.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_rigid_local.html" class="btn btn-neutral float-right" title="compute rigid/local command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_rdf.html" class="btn btn-neutral" title="compute rdf command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_rigid_local.html b/doc/html/compute_rigid_local.html
index 7f7d5630faf010f29de64d801c3ad7ea4e553b2e..a252c51f3980a71082c3001bc8352b0f57e0e980 100644
--- a/doc/html/compute_rigid_local.html
+++ b/doc/html/compute_rigid_local.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute saed command" href="compute_saed.html"/>
+ <link rel="prev" title="compute reduce command" href="compute_reduce.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute rigid/local command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute rigid/local command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_saed.html" class="btn btn-neutral float-right" title="compute saed command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_reduce.html" class="btn btn-neutral" title="compute reduce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,19 +286,21 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">rigid</span><span class="o">/</span><span class="n">local</span> <span class="n">rigidID</span> <span class="n">input1</span> <span class="n">input2</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>rigid/local = style name of this compute command</li>
-<li>rigidID = ID of fix rigid/small command or one of its variants</li>
-<li>input = one or more rigid body attributes</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">rigid/local = style name of this compute command</p>
+</li>
+<li><p class="first">rigidID = ID of fix rigid/small command or one of its variants</p>
+</li>
+<li><p class="first">input = one or more rigid body attributes</p>
<pre class="literal-block">
possible attributes = id, mol, mass,
- x, y, z, xu, yu, zu, ix, iy, iz
- vx, vy, vz, fx, fy, fz,
+ x, y, z, xu, yu, zu, ix, iy, iz
+ vx, vy, vz, fx, fy, fz,
omegax, omegay, omegaz,
- angmomx, angmomy, angmomz,
- quatw, quati, quatj, quatk,
+ angmomx, angmomy, angmomz,
+ quatw, quati, quatj, quatk,
tqx, tqy, tqz,
inertiax, inertiay, inertiaz
id = atom ID of atom within body which owns body properties
@@ -160,6 +317,8 @@ possible attributes = id, mol, mass,
tqx,tqy,tqz = torque on body
inertiax,inertiay,inertiaz = diagonalized moments of inertia of body
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -290,6 +449,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_saed.html" class="btn btn-neutral float-right" title="compute saed command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_reduce.html" class="btn btn-neutral" title="compute reduce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_saed.html b/doc/html/compute_saed.html
index bc78dd137892d98cd2500215323d7613fd9352c3..d9f4118168aae5937d581fc0ee6d397a946512e7 100644
--- a/doc/html/compute_saed.html
+++ b/doc/html/compute_saed.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute slice command" href="compute_slice.html"/>
+ <link rel="prev" title="compute rigid/local command" href="compute_rigid_local.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute saed command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute saed command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_slice.html" class="btn btn-neutral float-right" title="compute slice command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_rigid_local.html" class="btn btn-neutral" title="compute rigid/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,14 +287,18 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">saed</span> <span class="k">lambda</span> <span class="n">type1</span> <span class="n">type2</span> <span class="o">...</span> <span class="n">typeN</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>saed = style name of this compute command</li>
-<li>lambda = wavelength of incident radiation (length units)</li>
-<li>type1 type2 ... typeN = chemical symbol of each atom type (see valid options below)</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>Kmax</em> or <em>Zone</em> or <em>dR_Ewald</em> or <em>c</em> or <em>manual</em> or <em>echo</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">saed = style name of this compute command</p>
+</li>
+<li><p class="first">lambda = wavelength of incident radiation (length units)</p>
+</li>
+<li><p class="first">type1 type2 ... typeN = chemical symbol of each atom type (see valid options below)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>Kmax</em> or <em>Zone</em> or <em>dR_Ewald</em> or <em>c</em> or <em>manual</em> or <em>echo</em></p>
<pre class="literal-block">
<em>Kmax</em> value = Maximum distance explored from reciprocal space origin
(inverse length units)
@@ -154,6 +314,8 @@
based on the values of the <em>c</em> parameters
<em>echo</em> = flag to provide extra output for debugging purposes
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -307,6 +469,15 @@ Volume C: Mathematical and Chemical Tables, 554-95 (2004).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_slice.html" class="btn btn-neutral float-right" title="compute slice command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_rigid_local.html" class="btn btn-neutral" title="compute rigid/local command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_slice.html b/doc/html/compute_slice.html
index 768d82f2cbfdbc874f54d73b6e2582d6f495c364..e0c9e9caccf5fa32328f472ca5b10373c8476449 100644
--- a/doc/html/compute_slice.html
+++ b/doc/html/compute_slice.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/contact/radius command" href="compute_smd_contact_radius.html"/>
+ <link rel="prev" title="compute saed command" href="compute_saed.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute slice command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute slice command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_contact_radius.html" class="btn btn-neutral float-right" title="compute smd/contact/radius command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_saed.html" class="btn btn-neutral" title="compute saed command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,14 +286,18 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="nb">slice</span> <span class="n">Nstart</span> <span class="n">Nstop</span> <span class="n">Nskip</span> <span class="n">input1</span> <span class="n">input2</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>slice = style name of this compute command</li>
-<li>Nstart = starting index within input vector(s)</li>
-<li>Nstop = stopping index within input vector(s)</li>
-<li>Nskip = extract every Nskip elements from input vector(s)</li>
-<li>input = c_ID, c_ID[N], f_ID, f_ID[N]</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">slice = style name of this compute command</p>
+</li>
+<li><p class="first">Nstart = starting index within input vector(s)</p>
+</li>
+<li><p class="first">Nstop = stopping index within input vector(s)</p>
+</li>
+<li><p class="first">Nskip = extract every Nskip elements from input vector(s)</p>
+</li>
+<li><p class="first">input = c_ID, c_ID[N], f_ID, f_ID[N]</p>
<pre class="literal-block">
c_ID = global vector calculated by a compute with ID
c_ID[I] = Ith column of global array calculated by a compute with ID
@@ -146,6 +305,8 @@ f_ID = global vector calculated by a fix with ID
f_ID[I] = Ith column of global array calculated by a fix with ID
v_name = vector calculated by an vector-style variable with name
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -240,6 +401,15 @@ input quantities are in.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_contact_radius.html" class="btn btn-neutral float-right" title="compute smd/contact/radius command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_saed.html" class="btn btn-neutral" title="compute saed command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_contact_radius.html b/doc/html/compute_smd_contact_radius.html
index 0e19b35fa0870264b1ca56cc469ada013718c55c..9f45fb380607de7648a6418770447e230bb990f4 100644
--- a/doc/html/compute_smd_contact_radius.html
+++ b/doc/html/compute_smd_contact_radius.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/damage command" href="compute_smd_damage.html"/>
+ <link rel="prev" title="compute slice command" href="compute_slice.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/contact/radius command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/contact/radius command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_damage.html" class="btn btn-neutral float-right" title="compute smd/damage command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_slice.html" class="btn btn-neutral" title="compute slice command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -156,7 +311,7 @@ specified compute group.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-particle vector, which can be accessed by
any command that uses per-particle values from a compute as input. See
-<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-particle vector values will be in distance <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
</div>
@@ -177,6 +332,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_damage.html" class="btn btn-neutral float-right" title="compute smd/damage command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_slice.html" class="btn btn-neutral" title="compute slice command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_damage.html b/doc/html/compute_smd_damage.html
index 507c29ee97fc5685b71e0a1eecb80b3cd3eebfc2..2a3200e33eedce7656dd587ac7409d1fe5fe9d13 100644
--- a/doc/html/compute_smd_damage.html
+++ b/doc/html/compute_smd_damage.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/hourglass/error command" href="compute_smd_hourglass_error.html"/>
+ <link rel="prev" title="compute smd/contact/radius command" href="compute_smd_contact_radius.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/damage command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/damage command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_hourglass_error.html" class="btn btn-neutral float-right" title="compute smd/hourglass/error command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_contact_radius.html" class="btn btn-neutral" title="compute smd/contact/radius command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -172,6 +327,15 @@ section for more info.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_hourglass_error.html" class="btn btn-neutral float-right" title="compute smd/hourglass/error command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_contact_radius.html" class="btn btn-neutral" title="compute smd/contact/radius command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_hourglass_error.html b/doc/html/compute_smd_hourglass_error.html
index 595c8b349817165e890ff45de00fceb59655c3e0..f43932ebcb8af2e594ab69248b0f674a51d5ff3e 100644
--- a/doc/html/compute_smd_hourglass_error.html
+++ b/doc/html/compute_smd_hourglass_error.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/internal/energy command" href="compute_smd_internal_energy.html"/>
+ <link rel="prev" title="compute smd/damage command" href="compute_smd_damage.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/hourglass/error command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/hourglass/error command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_internal_energy.html" class="btn btn-neutral float-right" title="compute smd/internal/energy command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_damage.html" class="btn btn-neutral" title="compute smd/damage command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -183,6 +338,15 @@ tlsph pair style.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_internal_energy.html" class="btn btn-neutral float-right" title="compute smd/internal/energy command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_damage.html" class="btn btn-neutral" title="compute smd/damage command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_internal_energy.html b/doc/html/compute_smd_internal_energy.html
index 14290c8b0ad7bfa825387b64bb393649ad677136..c0dd671fb3a2ccdc5c1a5e2fec5b76443e6cb8f2 100644
--- a/doc/html/compute_smd_internal_energy.html
+++ b/doc/html/compute_smd_internal_energy.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/plastic/strain command" href="compute_smd_plastic_strain.html"/>
+ <link rel="prev" title="compute smd/hourglass/error command" href="compute_smd_hourglass_error.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/internal/energy command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/internal/energy command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_plastic_strain.html" class="btn btn-neutral float-right" title="compute smd/plastic/strain command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_hourglass_error.html" class="btn btn-neutral" title="compute smd/hourglass/error command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -173,6 +328,15 @@ Lagrangian or total Lagrangian SPH pair styles.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_plastic_strain.html" class="btn btn-neutral float-right" title="compute smd/plastic/strain command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_hourglass_error.html" class="btn btn-neutral" title="compute smd/hourglass/error command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_plastic_strain.html b/doc/html/compute_smd_plastic_strain.html
index 90dd34a9796b0d8eaf19de25178130964bba4354..438cb54d9f75b28dbb97ed9c3c553b6578d46481 100644
--- a/doc/html/compute_smd_plastic_strain.html
+++ b/doc/html/compute_smd_plastic_strain.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/plastic/strain/rate command" href="compute_smd_plastic_strain_rate.html"/>
+ <link rel="prev" title="compute smd/internal/energy command" href="compute_smd_internal_energy.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/plastic/strain command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/plastic/strain command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_plastic_strain_rate.html" class="btn btn-neutral float-right" title="compute smd/plastic/strain/rate command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_internal_energy.html" class="btn btn-neutral" title="compute smd/internal/energy command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -177,6 +332,15 @@ Lagrangian or total Lagrangian SPH pair styles.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_plastic_strain_rate.html" class="btn btn-neutral float-right" title="compute smd/plastic/strain/rate command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_internal_energy.html" class="btn btn-neutral" title="compute smd/internal/energy command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_plastic_strain_rate.html b/doc/html/compute_smd_plastic_strain_rate.html
index e0848e3f4162781d933f06532deab967c9d50086..bf78e1718521b5486cc2dff56debcf139d138d3f 100644
--- a/doc/html/compute_smd_plastic_strain_rate.html
+++ b/doc/html/compute_smd_plastic_strain_rate.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/rho command" href="compute_smd_rho.html"/>
+ <link rel="prev" title="compute smd/plastic/strain command" href="compute_smd_plastic_strain.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/plastic/strain/rate command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/plastic/strain/rate command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_rho.html" class="btn btn-neutral float-right" title="compute smd/rho command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_plastic_strain.html" class="btn btn-neutral" title="compute smd/plastic/strain command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -177,6 +332,15 @@ Lagrangian or total Lagrangian SPH pair styles.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_rho.html" class="btn btn-neutral float-right" title="compute smd/rho command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_plastic_strain.html" class="btn btn-neutral" title="compute smd/plastic/strain command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_rho.html b/doc/html/compute_smd_rho.html
index 2d199a90cd1b9ee0c63bf58de0e28704acc6a751..5d38c4a63b7157d805624a0ff0df60855b29e12c 100644
--- a/doc/html/compute_smd_rho.html
+++ b/doc/html/compute_smd_rho.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/tlsph/defgrad command" href="compute_smd_tlsph_defgrad.html"/>
+ <link rel="prev" title="compute smd/plastic/strain/rate command" href="compute_smd_plastic_strain_rate.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/rho command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/rho command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_tlsph_defgrad.html" class="btn btn-neutral float-right" title="compute smd/tlsph/defgrad command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_plastic_strain_rate.html" class="btn btn-neutral" title="compute smd/plastic/strain/rate command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -174,6 +329,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href="
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_tlsph_defgrad.html" class="btn btn-neutral float-right" title="compute smd/tlsph/defgrad command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_plastic_strain_rate.html" class="btn btn-neutral" title="compute smd/plastic/strain/rate command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_tlsph_defgrad.html b/doc/html/compute_smd_tlsph_defgrad.html
index 8e23bd77f50e890aebf408a776c9415064a4e01f..0497619058d779b25e5392a7859c111e9ad350a4 100644
--- a/doc/html/compute_smd_tlsph_defgrad.html
+++ b/doc/html/compute_smd_tlsph_defgrad.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/tlsph/dt command" href="compute_smd_tlsph_dt.html"/>
+ <link rel="prev" title="compute smd/rho command" href="compute_smd_rho.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/tlsph/defgrad command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/tlsph/defgrad command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_tlsph_dt.html" class="btn btn-neutral float-right" title="compute smd/tlsph/dt command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_rho.html" class="btn btn-neutral" title="compute smd/rho command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -179,6 +334,15 @@ Lagrangian SPH pair style.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_tlsph_dt.html" class="btn btn-neutral float-right" title="compute smd/tlsph/dt command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_rho.html" class="btn btn-neutral" title="compute smd/rho command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_tlsph_dt.html b/doc/html/compute_smd_tlsph_dt.html
index 9bc9c23e8127ec21a80906ddc797deedb5408782..6817f32e2b96965c6cade55a457825306ee96494 100644
--- a/doc/html/compute_smd_tlsph_dt.html
+++ b/doc/html/compute_smd_tlsph_dt.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/tlsph/num/neighs command" href="compute_smd_tlsph_num_neighs.html"/>
+ <link rel="prev" title="compute smd/tlsph/defgrad command" href="compute_smd_tlsph_defgrad.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/tlsph/dt command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/tlsph/dt command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_tlsph_num_neighs.html" class="btn btn-neutral float-right" title="compute smd/tlsph/num/neighs command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_tlsph_defgrad.html" class="btn btn-neutral" title="compute smd/tlsph/defgrad command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -180,6 +335,15 @@ Total-Lagrangian SPH pair style.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_tlsph_num_neighs.html" class="btn btn-neutral float-right" title="compute smd/tlsph/num/neighs command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_tlsph_defgrad.html" class="btn btn-neutral" title="compute smd/tlsph/defgrad command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_tlsph_num_neighs.html b/doc/html/compute_smd_tlsph_num_neighs.html
index 926a1661c854dee7b5e8a528702c4f05f2e5a413..2b4fff05acc72c37f4e9891cf782f2306ebd10af 100644
--- a/doc/html/compute_smd_tlsph_num_neighs.html
+++ b/doc/html/compute_smd_tlsph_num_neighs.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/tlsph/shape command" href="compute_smd_tlsph_shape.html"/>
+ <link rel="prev" title="compute smd/tlsph/dt command" href="compute_smd_tlsph_dt.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/tlsph/num/neighs command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/tlsph/num/neighs command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_tlsph_shape.html" class="btn btn-neutral float-right" title="compute smd/tlsph/shape command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_tlsph_dt.html" class="btn btn-neutral" title="compute smd/tlsph/dt command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -175,6 +330,15 @@ the Total-Lagrangian pair style.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_tlsph_shape.html" class="btn btn-neutral float-right" title="compute smd/tlsph/shape command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_tlsph_dt.html" class="btn btn-neutral" title="compute smd/tlsph/dt command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_tlsph_shape.html b/doc/html/compute_smd_tlsph_shape.html
index 491097906d07960fe30e3357eee4bc770dce22ae..3882f20d1d82e2ded439f8aa33a0b63872a9ea59 100644
--- a/doc/html/compute_smd_tlsph_shape.html
+++ b/doc/html/compute_smd_tlsph_shape.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/tlsph/strain command" href="compute_smd_tlsph_strain.html"/>
+ <link rel="prev" title="compute smd/tlsph/num/neighs command" href="compute_smd_tlsph_num_neighs.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/tlsph/shape command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/tlsph/shape command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_tlsph_strain.html" class="btn btn-neutral float-right" title="compute smd/tlsph/strain command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_tlsph_num_neighs.html" class="btn btn-neutral" title="compute smd/tlsph/num/neighs command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -182,6 +337,15 @@ the Total-Lagrangian SPH pair style.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_tlsph_strain.html" class="btn btn-neutral float-right" title="compute smd/tlsph/strain command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_tlsph_num_neighs.html" class="btn btn-neutral" title="compute smd/tlsph/num/neighs command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_tlsph_strain.html b/doc/html/compute_smd_tlsph_strain.html
index 6b58d8c318494dbae1ca65d4ae232abe6506b3eb..178e98cfd6d1804f9512ceb06636cd527bc64299 100644
--- a/doc/html/compute_smd_tlsph_strain.html
+++ b/doc/html/compute_smd_tlsph_strain.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/tlsph/strain/rate command" href="compute_smd_tlsph_strain_rate.html"/>
+ <link rel="prev" title="compute smd/tlsph/shape command" href="compute_smd_tlsph_shape.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/tlsph/strain command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/tlsph/strain command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_tlsph_strain_rate.html" class="btn btn-neutral float-right" title="compute smd/tlsph/strain/rate command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_tlsph_shape.html" class="btn btn-neutral" title="compute smd/tlsph/shape command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -178,6 +333,15 @@ the Total-Lagrangian SPH pair style.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_tlsph_strain_rate.html" class="btn btn-neutral float-right" title="compute smd/tlsph/strain/rate command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_tlsph_shape.html" class="btn btn-neutral" title="compute smd/tlsph/shape command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_tlsph_strain_rate.html b/doc/html/compute_smd_tlsph_strain_rate.html
index e1b430b23f55bf33782cf1c84e77d22dec081a2e..232e7f2078782804bc680b04e75e4cd06e0556da 100644
--- a/doc/html/compute_smd_tlsph_strain_rate.html
+++ b/doc/html/compute_smd_tlsph_strain_rate.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/tlsph/stress command" href="compute_smd_tlsph_stress.html"/>
+ <link rel="prev" title="compute smd/tlsph/strain command" href="compute_smd_tlsph_strain.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/tlsph/strain/rate command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/tlsph/strain/rate command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_tlsph_stress.html" class="btn btn-neutral float-right" title="compute smd/tlsph/stress command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_tlsph_strain.html" class="btn btn-neutral" title="compute smd/tlsph/strain command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -176,6 +331,15 @@ Total-Lagrangian SPH pair style.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_tlsph_stress.html" class="btn btn-neutral float-right" title="compute smd/tlsph/stress command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_tlsph_strain.html" class="btn btn-neutral" title="compute smd/tlsph/strain command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_tlsph_stress.html b/doc/html/compute_smd_tlsph_stress.html
index d14538fad5075b53572470e685cf18b978fe12ab..43189db4311c02636cd39760fb2e33a08354997b 100644
--- a/doc/html/compute_smd_tlsph_stress.html
+++ b/doc/html/compute_smd_tlsph_stress.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/triangle/mesh/vertices" href="compute_smd_triangle_mesh_vertices.html"/>
+ <link rel="prev" title="compute smd/tlsph/strain/rate command" href="compute_smd_tlsph_strain_rate.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/tlsph/stress command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/tlsph/stress command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_triangle_mesh_vertices.html" class="btn btn-neutral float-right" title="compute smd/triangle/mesh/vertices" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_tlsph_strain_rate.html" class="btn btn-neutral" title="compute smd/tlsph/strain/rate command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -179,6 +334,15 @@ the Total-Lagrangian SPH pair style.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_triangle_mesh_vertices.html" class="btn btn-neutral float-right" title="compute smd/triangle/mesh/vertices" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_tlsph_strain_rate.html" class="btn btn-neutral" title="compute smd/tlsph/strain/rate command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_triangle_mesh_vertices.html b/doc/html/compute_smd_triangle_mesh_vertices.html
index 374f7f4135a39e70a6587a761f0fa3fc926d2d79..81134daafaa8c3c77d3ca1095aad912e2ec17c72 100644
--- a/doc/html/compute_smd_triangle_mesh_vertices.html
+++ b/doc/html/compute_smd_triangle_mesh_vertices.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/ulsph/num/neighs command" href="compute_smd_ulsph_num_neighs.html"/>
+ <link rel="prev" title="compute smd/tlsph/stress command" href="compute_smd_tlsph_stress.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/triangle/mesh/vertices</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/triangle/mesh/vertices</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_ulsph_num_neighs.html" class="btn btn-neutral float-right" title="compute smd/ulsph/num/neighs command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_tlsph_stress.html" class="btn btn-neutral" title="compute smd/tlsph/stress command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -145,7 +300,7 @@
<div class="section" id="description">
<h2>Description</h2>
<p>Define a computation that returns the coordinates of the vertices
-corresponding to the triangle-elements of a mesh created by the <a href="#id4"><span class="problematic" id="id5">`fix smd/wall\_surface <ls_>`_</span></a>.</p>
+corresponding to the triangle-elements of a mesh created by the <a class="reference internal" href="fix_smd_wall_surface.html"><span class="doc">fix smd/wall_surface</span></a>.</p>
<p>See <a class="reference external" href="USER/smd/SMD_LAMMPS_userguide.pdf">this PDF guide</a> to using Smooth
Mach Dynamics in LAMMPS.</p>
<p><strong>Output info:</strong></p>
@@ -157,9 +312,9 @@ for an overview of LAMMPS output options.</p>
(x3/y3/z3) corresponding to the first, second, and third vertex of
each triangle.</p>
<p>It is only meaningful to use this compute for a group of particles
-which is created via the <a href="#id6"><span class="problematic" id="id7">`fix smd/wall\_surface <ls_>`_</span></a> command.</p>
+which is created via the <a class="reference internal" href="fix_smd_wall_surface.html"><span class="doc">fix smd/wall_surface</span></a> command.</p>
<p>The output of this compute can be used with the dump2vtk_tris tool to
-generate a VTK representation of the smd/wall_surace mesh for
+generate a VTK representation of the smd/wall_surface mesh for
visualization purposes.</p>
<p>The values will be given in <a class="reference internal" href="units.html"><span class="doc">units</span></a> of distance.</p>
</div>
@@ -170,8 +325,8 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<div class="section" id="related-commands">
<h2>Related commands</h2>
-<p><a class="reference internal" href="fix_smd_move_triangulated_surface.html"><span class="doc">compute smd/move/tri/surf</span></a>,
-<a href="#id8"><span class="problematic" id="id9">`compute smd/wall/surface <ls_>`_</span></a></p>
+<p><a class="reference internal" href="fix_smd_move_triangulated_surface.html"><span class="doc">fix smd/move/tri/surf</span></a>,
+<a class="reference internal" href="fix_smd_wall_surface.html"><span class="doc">fix smd/wall_surface</span></a></p>
<p><strong>Default:</strong> none</p>
</div>
</div>
@@ -181,6 +336,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_ulsph_num_neighs.html" class="btn btn-neutral float-right" title="compute smd/ulsph/num/neighs command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_tlsph_stress.html" class="btn btn-neutral" title="compute smd/tlsph/stress command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_ulsph_num_neighs.html b/doc/html/compute_smd_ulsph_num_neighs.html
index 425c4b81e593a1c087bc22e44fa9d786e677f4af..cd26dc683a18936d646d5918ec165fb2c7c9533e 100644
--- a/doc/html/compute_smd_ulsph_num_neighs.html
+++ b/doc/html/compute_smd_ulsph_num_neighs.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/ulsph/strain command" href="compute_smd_ulsph_strain.html"/>
+ <link rel="prev" title="compute smd/triangle/mesh/vertices" href="compute_smd_triangle_mesh_vertices.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/ulsph/num/neighs command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/ulsph/num/neighs command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_ulsph_strain.html" class="btn btn-neutral float-right" title="compute smd/ulsph/strain command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_triangle_mesh_vertices.html" class="btn btn-neutral" title="compute smd/triangle/mesh/vertices" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -152,7 +307,7 @@ Mach Dynamics in LAMMPS.</p>
<p><strong>Output info:</strong></p>
<p>This compute returns a per-particle vector, which can be accessed by
any command that uses per-particle values from a compute as input.
-See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-particle values will be given dimentionless, see <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
</div>
@@ -175,6 +330,15 @@ Lagrangian SPH pair style.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_ulsph_strain.html" class="btn btn-neutral float-right" title="compute smd/ulsph/strain command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_triangle_mesh_vertices.html" class="btn btn-neutral" title="compute smd/triangle/mesh/vertices" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_ulsph_strain.html b/doc/html/compute_smd_ulsph_strain.html
index 86f90ceb6aab84cf35987b28aa5145a6ee30f815..0ad78de568b544ab44464852f56c7fd73f6a0674 100644
--- a/doc/html/compute_smd_ulsph_strain.html
+++ b/doc/html/compute_smd_ulsph_strain.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/ulsph/strain/rate command" href="compute_smd_ulsph_strain_rate.html"/>
+ <link rel="prev" title="compute smd/ulsph/num/neighs command" href="compute_smd_ulsph_num_neighs.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/ulsph/strain command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/ulsph/strain command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_ulsph_strain_rate.html" class="btn btn-neutral float-right" title="compute smd/ulsph/strain/rate command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_ulsph_num_neighs.html" class="btn btn-neutral" title="compute smd/ulsph/num/neighs command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -151,7 +306,7 @@ Mach Dynamics in LAMMPS.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-particle tensor, which can be accessed
by any command that uses per-particle values from a compute as input.
-See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of
+See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-particle vector has 6 entries, corresponding to the xx, yy,
zz, xy, xz, yz components of the symmetric strain rate tensor.</p>
@@ -177,6 +332,15 @@ Lagrangian SPH pair style.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_ulsph_strain_rate.html" class="btn btn-neutral float-right" title="compute smd/ulsph/strain/rate command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_ulsph_num_neighs.html" class="btn btn-neutral" title="compute smd/ulsph/num/neighs command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_ulsph_strain_rate.html b/doc/html/compute_smd_ulsph_strain_rate.html
index 0f60ae8efdade955bc98487f2ef0a4fbfbe59f13..798d67d19ac30b7df56122e144de08cf9a242e1f 100644
--- a/doc/html/compute_smd_ulsph_strain_rate.html
+++ b/doc/html/compute_smd_ulsph_strain_rate.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/ulsph/stress command" href="compute_smd_ulsph_stress.html"/>
+ <link rel="prev" title="compute smd/ulsph/strain command" href="compute_smd_ulsph_strain.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/ulsph/strain/rate command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/ulsph/strain/rate command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_ulsph_stress.html" class="btn btn-neutral float-right" title="compute smd/ulsph/stress command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_ulsph_strain.html" class="btn btn-neutral" title="compute smd/ulsph/strain command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -152,7 +307,7 @@ Mach Dynamics in LAMMPS.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-particle vector of vectors (tensors),
which can be accessed by any command that uses per-particle values
-from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The values will be given in <a class="reference internal" href="units.html"><span class="doc">units</span></a> of one over time.</p>
<p>The per-particle vector has 6 entries, corresponding to the xx, yy,
@@ -177,6 +332,15 @@ Lagrangian SPH pair style.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_ulsph_stress.html" class="btn btn-neutral float-right" title="compute smd/ulsph/stress command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_ulsph_strain.html" class="btn btn-neutral" title="compute smd/ulsph/strain command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_ulsph_stress.html b/doc/html/compute_smd_ulsph_stress.html
index 51654a43e038b36253ee0fc462d21f3eec8a84a9..68aed3e2a0d6257ddf7e0337061175bb95e680c3 100644
--- a/doc/html/compute_smd_ulsph_stress.html
+++ b/doc/html/compute_smd_ulsph_stress.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute smd/vol command" href="compute_smd_vol.html"/>
+ <link rel="prev" title="compute smd/ulsph/strain/rate command" href="compute_smd_ulsph_strain_rate.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/ulsph/stress command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/ulsph/stress command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_vol.html" class="btn btn-neutral float-right" title="compute smd/vol command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_ulsph_strain_rate.html" class="btn btn-neutral" title="compute smd/ulsph/strain/rate command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -150,7 +305,7 @@ Mach Dynamics in LAMMPS.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-particle vector of vectors (tensors),
which can be accessed by any command that uses per-particle values
-from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The values will be given in <a class="reference internal" href="units.html"><span class="doc">units</span></a> of pressure.</p>
<p>The per-particle vector has 7 entries. The first six entries
@@ -177,6 +332,15 @@ Lagrangian SPH pair style.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_smd_vol.html" class="btn btn-neutral float-right" title="compute smd/vol command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_ulsph_strain_rate.html" class="btn btn-neutral" title="compute smd/ulsph/strain/rate command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_smd_vol.html b/doc/html/compute_smd_vol.html
index 4029e0eb2fa78b36165047d0cdf7e7fabde1898d..a502129e34cb032890735f8bb6de8c5fae24765d 100644
--- a/doc/html/compute_smd_vol.html
+++ b/doc/html/compute_smd_vol.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute sna/atom command" href="compute_sna_atom.html"/>
+ <link rel="prev" title="compute smd/ulsph/stress command" href="compute_smd_ulsph_stress.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute smd/vol command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute smd/vol command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_sna_atom.html" class="btn btn-neutral float-right" title="compute sna/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_ulsph_stress.html" class="btn btn-neutral" title="compute smd/ulsph/stress command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -175,6 +330,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href="
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_sna_atom.html" class="btn btn-neutral float-right" title="compute sna/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_ulsph_stress.html" class="btn btn-neutral" title="compute smd/ulsph/stress command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_sna_atom.html b/doc/html/compute_sna_atom.html
index 930f66a12eec605444b06ea168106883bd0d978e..1620c7e9367b2bc2945813b3f62b84ff7d32fd9e 100644
--- a/doc/html/compute_sna_atom.html
+++ b/doc/html/compute_sna_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute stress/atom command" href="compute_stress_atom.html"/>
+ <link rel="prev" title="compute smd/vol command" href="compute_smd_vol.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#compute-snav-atom-command">compute snav/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute sna/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_stress_atom.html" class="btn btn-neutral float-right" title="compute stress/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_vol.html" class="btn btn-neutral" title="compute smd/vol command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -139,17 +295,24 @@ compute ID group-ID sna/atom rcutfac rfac0 twojmax R_1 R_2 ... w_1 w_2 ... keywo
compute ID group-ID snad/atom rcutfac rfac0 twojmax R_1 R_2 ... w_1 w_2 ... keyword values ...
compute ID group-ID snav/atom rcutfac rfac0 twojmax R_1 R_2 ... w_1 w_2 ... keyword values ...
</pre>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>sna/atom = style name of this compute command</li>
-<li>rcutfac = scale factor applied to all cutoff radii (positive real)</li>
-<li>rfac0 = parameter in distance to angle conversion (0 < rcutfac < 1)</li>
-<li>twojmax = band limit for bispectrum components (non-negative integer)</li>
-<li>R_1, R_2,... = list of cutoff radii, one for each type (distance units)</li>
-<li>w_1, w_2,... = list of neighbor weights, one for each type</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>diagonal</em> or <em>rmin0</em> or <em>switchflag</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">sna/atom = style name of this compute command</p>
+</li>
+<li><p class="first">rcutfac = scale factor applied to all cutoff radii (positive real)</p>
+</li>
+<li><p class="first">rfac0 = parameter in distance to angle conversion (0 < rcutfac < 1)</p>
+</li>
+<li><p class="first">twojmax = band limit for bispectrum components (non-negative integer)</p>
+</li>
+<li><p class="first">R_1, R_2,... = list of cutoff radii, one for each type (distance units)</p>
+</li>
+<li><p class="first">w_1, w_2,... = list of neighbor weights, one for each type</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>diagonal</em> or <em>rmin0</em> or <em>switchflag</em></p>
<pre class="literal-block">
<em>diagonal</em> value = <em>0</em> or <em>1</em> or <em>2</em> or <em>3</em>
<em>0</em> = all j1, j2, j <= twojmax, j2 <= j1
@@ -161,6 +324,8 @@ compute ID group-ID snav/atom rcutfac rfac0 twojmax R_1 R_2 ... w_1 w_2 ... keyw
<em>0</em> = do not use switching function
<em>1</em> = use switching function
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -305,7 +470,7 @@ block contains six sub-blocks corresponding to the <em>xx</em>, <em>yy</em>, <em
notation. Each of these sub-blocks contains one column for each
bispectrum component, the same as for compute <em>sna/atom</em></p>
<p>These values can be accessed by any command that uses per-atom values
-from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
</div>
<div class="section" id="restrictions">
@@ -336,6 +501,15 @@ of Angular Momentum, World Scientific, Singapore (1987).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_stress_atom.html" class="btn btn-neutral float-right" title="compute stress/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_smd_vol.html" class="btn btn-neutral" title="compute smd/vol command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_stress_atom.html b/doc/html/compute_stress_atom.html
index c4704bbbbd5cd122974ce19a5e015bc4e2323a76..153c6a8cbcc1203b1fb012221b821ac4ccd8c6e3 100644
--- a/doc/html/compute_stress_atom.html
+++ b/doc/html/compute_stress_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute force/tally command" href="compute_tally.html"/>
+ <link rel="prev" title="compute sna/atom command" href="compute_sna_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute stress/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute stress/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_tally.html" class="btn btn-neutral float-right" title="compute force/tally command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_sna_atom.html" class="btn btn-neutral" title="compute sna/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -243,7 +398,7 @@ thermo_style custom step temp etotal press v_press
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom array with 6 columns, which can be
accessed by indices 1-6 by any command that uses per-atom values from
-a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The per-atom array values will be in pressure*volume
<a class="reference internal" href="units.html"><span class="doc">units</span></a> as discussed above.</p>
@@ -269,6 +424,15 @@ options.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_tally.html" class="btn btn-neutral float-right" title="compute force/tally command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_sna_atom.html" class="btn btn-neutral" title="compute sna/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_tally.html b/doc/html/compute_tally.html
index 49e19cbac1c3c60ccfc0253ae31a0e2667d8dd8e..dbdf0b256c626bc78cad4d109cb9a5eb2f918c81 100644
--- a/doc/html/compute_tally.html
+++ b/doc/html/compute_tally.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp command" href="compute_temp.html"/>
+ <link rel="prev" title="compute stress/atom command" href="compute_stress_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#compute-stress-tally-command">compute stress/tally command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute force/tally command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp.html" class="btn btn-neutral float-right" title="compute temp command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_stress_atom.html" class="btn btn-neutral" title="compute stress/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -218,6 +373,15 @@ heat/flux</em>_compute_heat_flux.html</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp.html" class="btn btn-neutral float-right" title="compute temp command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_stress_atom.html" class="btn btn-neutral" title="compute stress/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp.html b/doc/html/compute_temp.html
index 2b287343eda85109ed8384e0dd9650c31645907f..06ed6debd73e93c66d34cf0f4272e79e0a8fb30f 100644
--- a/doc/html/compute_temp.html
+++ b/doc/html/compute_temp.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/asphere command" href="compute_temp_asphere.html"/>
+ <link rel="prev" title="compute force/tally command" href="compute_tally.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#compute-temp-kk-command">compute temp/kk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_asphere.html" class="btn btn-neutral float-right" title="compute temp/asphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_tally.html" class="btn btn-neutral" title="compute force/tally command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -183,7 +338,7 @@ thermostatting.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -193,7 +348,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Output info:</strong></p>
@@ -224,6 +379,15 @@ vector values will be in energy <a class="reference internal" href="units.html">
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_asphere.html" class="btn btn-neutral float-right" title="compute temp/asphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_tally.html" class="btn btn-neutral" title="compute force/tally command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_asphere.html b/doc/html/compute_temp_asphere.html
index 06c17edaa9cfca9fb19322af239427848cb335c9..116dbd071ab2d79256daf8e440a0473eebf51acc 100644
--- a/doc/html/compute_temp_asphere.html
+++ b/doc/html/compute_temp_asphere.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/body command" href="compute_temp_body.html"/>
+ <link rel="prev" title="compute temp command" href="compute_temp.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/asphere command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/asphere command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_body.html" class="btn btn-neutral float-right" title="compute temp/body command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp.html" class="btn btn-neutral" title="compute temp command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +286,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">temp</span><span class="o">/</span><span class="n">asphere</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>temp/asphere = style name of this compute command</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>bias</em> or <em>dof</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">temp/asphere = style name of this compute command</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>bias</em> or <em>dof</em></p>
<pre class="literal-block">
<em>bias</em> value = bias-ID
bias-ID = ID of a temperature compute that removes a velocity bias
@@ -144,6 +301,8 @@
all = compute temperature of translational and rotational degrees of freedom
rotate = compute temperature of just rotational degrees of freedom
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -264,6 +423,15 @@ shape attribute.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_body.html" class="btn btn-neutral float-right" title="compute temp/body command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp.html" class="btn btn-neutral" title="compute temp command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_body.html b/doc/html/compute_temp_body.html
index 807216d419cdda483c8ead4d460f8be338dd5684..d52146adf01d6bc1bb267f3da3b71570abd07d04 100644
--- a/doc/html/compute_temp_body.html
+++ b/doc/html/compute_temp_body.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/chunk command" href="compute_temp_chunk.html"/>
+ <link rel="prev" title="compute temp/asphere command" href="compute_temp_asphere.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/body command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/body command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_chunk.html" class="btn btn-neutral float-right" title="compute temp/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_asphere.html" class="btn btn-neutral" title="compute temp/asphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +286,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">temp</span><span class="o">/</span><span class="n">body</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>temp/body = style name of this compute command</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>bias</em> or <em>dof</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">temp/body = style name of this compute command</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>bias</em> or <em>dof</em></p>
<pre class="literal-block">
<em>bias</em> value = bias-ID
bias-ID = ID of a temperature compute that removes a velocity bias
@@ -144,6 +301,8 @@
all = compute temperature of translational and rotational degrees of freedom
rotate = compute temperature of just rotational degrees of freedom
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -242,6 +401,15 @@ command.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_chunk.html" class="btn btn-neutral float-right" title="compute temp/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_asphere.html" class="btn btn-neutral" title="compute temp/asphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_chunk.html b/doc/html/compute_temp_chunk.html
index 88aba840490ff0663e562f4411e8fb0df8cc2530..340843f9fd5c233d37be3b905768bb0e25db8186 100644
--- a/doc/html/compute_temp_chunk.html
+++ b/doc/html/compute_temp_chunk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/com command" href="compute_temp_com.html"/>
+ <link rel="prev" title="compute temp/body command" href="compute_temp_body.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/chunk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/chunk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_com.html" class="btn btn-neutral float-right" title="compute temp/com command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_body.html" class="btn btn-neutral" title="compute temp/body command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,22 +287,25 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">temp</span><span class="o">/</span><span class="n">chunk</span> <span class="n">chunkID</span> <span class="n">value1</span> <span class="n">value2</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>temp/chunk = style name of this compute command</li>
-<li>chunkID = ID of <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command</li>
-<li>zero or more values can be listed as value1,value2,etc</li>
-<li>value = <em>temp</em> or <em>kecom</em> or <em>internal</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">temp/chunk = style name of this compute command</p>
+</li>
+<li><p class="first">chunkID = ID of <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command</p>
+</li>
+<li><p class="first">zero or more values can be listed as value1,value2,etc</p>
+</li>
+<li><p class="first">value = <em>temp</em> or <em>kecom</em> or <em>internal</em></p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">temp</span> <span class="o">=</span> <span class="n">temperature</span> <span class="n">of</span> <span class="n">each</span> <span class="n">chunk</span>
<span class="n">kecom</span> <span class="o">=</span> <span class="n">kinetic</span> <span class="n">energy</span> <span class="n">of</span> <span class="n">each</span> <span class="n">chunk</span> <span class="n">based</span> <span class="n">on</span> <span class="n">velocity</span> <span class="n">of</span> <span class="n">center</span> <span class="n">of</span> <span class="n">mass</span>
<span class="n">internal</span> <span class="o">=</span> <span class="n">internal</span> <span class="n">kinetic</span> <span class="n">energy</span> <span class="n">of</span> <span class="n">each</span> <span class="n">chunk</span>
</pre></div>
</div>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>com</em> or <em>bias</em> or <em>adof</em> or <em>cdof</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>com</em> or <em>bias</em> or <em>adof</em> or <em>cdof</em></p>
<pre class="literal-block">
<em>com</em> value = <em>yes</em> or <em>no</em>
yes = subtract center-of-mass velocity from each chunk before calculating temperature
@@ -158,6 +317,8 @@
<em>cdof</em> value = dof_per_chunk
dof_per_chunk = define this many degrees-of-freedom per chunk
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -177,7 +338,7 @@ multiple chunks of atoms.</p>
<p>In LAMMPS, chunks are collections of atoms defined by a <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command, which assigns each atom
to a single chunk (or no chunk). The ID for this command is specified
as chunkID. For example, a single chunk could be the atoms in a
-molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and “<a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section_howto 23</span></a> for details of how chunks can be
+molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and <a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section 6.23</span></a> for details of how chunks can be
defined and examples of how they can be used to measure properties of
a system.</p>
<p>The temperature is calculated by the formula KE = DOF/2 k T, where KE =
@@ -308,7 +469,7 @@ of the optional values are specified. The number of rows in the array
<a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command. The number of
columns is the number of specifed values (1 or more). These values
can be accessed by any command that uses global array values from a
-compute as input. Again, see <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+compute as input. Again, see <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The scalar value calculated by this compute is “intensive”. The
vector values are “extensive”. The array values are “intensive”.</p>
@@ -337,6 +498,15 @@ system (2 or 3), and cdof = 0.0.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_com.html" class="btn btn-neutral float-right" title="compute temp/com command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_body.html" class="btn btn-neutral" title="compute temp/body command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_com.html b/doc/html/compute_temp_com.html
index cd57a0da57e69da5ac0cc88b237c5c244e09cf9c..52ca99d536ba31b3babe810924b101165f8d7f55 100644
--- a/doc/html/compute_temp_com.html
+++ b/doc/html/compute_temp_com.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/cs command" href="compute_temp_cs.html"/>
+ <link rel="prev" title="compute temp/chunk command" href="compute_temp_chunk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/com command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/com command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_cs.html" class="btn btn-neutral float-right" title="compute temp/cs command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_chunk.html" class="btn btn-neutral" title="compute temp/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -209,6 +364,15 @@ vector values will be in energy <a class="reference internal" href="units.html">
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_cs.html" class="btn btn-neutral float-right" title="compute temp/cs command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_chunk.html" class="btn btn-neutral" title="compute temp/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_cs.html b/doc/html/compute_temp_cs.html
index 81927952be1cd80f81e9af927de6560f879df844..36313ef097b8ac02f5d00bf72db508041ef14bed 100644
--- a/doc/html/compute_temp_cs.html
+++ b/doc/html/compute_temp_cs.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/deform command" href="compute_temp_deform.html"/>
+ <link rel="prev" title="compute temp/com command" href="compute_temp_com.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/cs command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/cs command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_deform.html" class="btn btn-neutral float-right" title="compute temp/deform command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_com.html" class="btn btn-neutral" title="compute temp/com command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -151,7 +306,7 @@ compute core_shells all temp/cs cores shells
on the center-of-mass velocity of atom pairs that are bonded to each
other. This compute is designed to be used with the adiabatic
core/shell model of <a class="reference internal" href="pair_cs.html#mitchellfinchham"><span class="std std-ref">(Mitchell and Finchham)</span></a>. See
-<a class="reference internal" href="Section_howto.html#howto-25"><span class="std std-ref">Section_howto 25</span></a> of the manual for an
+<a class="reference internal" href="Section_howto.html#howto-25"><span class="std std-ref">Section 6.25</span></a> of the manual for an
overview of the model as implemented in LAMMPS. Specifically, this
compute enables correct temperature calculation and thermostatting of
core/shell pairs where it is desirable for the internal degrees of
@@ -196,7 +351,7 @@ core/shell pairs, instead of on the individual core and shell atoms.
Thermostatting fixes that work in this way include <a class="reference internal" href="fix_nh.html"><span class="doc">fix nvt</span></a>, <a class="reference internal" href="fix_temp_rescale.html"><span class="doc">fix temp/rescale</span></a>, <a class="reference internal" href="fix_temp_berendsen.html"><span class="doc">fix temp/berendsen</span></a>, and <a class="reference internal" href="fix_langevin.html"><span class="doc">fix langevin</span></a>.</p>
<p>The internal energy of core/shell pairs can be calculated by the
<a class="reference internal" href="compute_temp_chunk.html"><span class="doc">compute temp/chunk</span></a> command, if chunks are
-defined as core/shell pairs. See <a class="reference internal" href="Section_howto.html#howto-25"><span class="std std-ref">Section_howto 25</span></a> for more discussion on how to do this.</p>
+defined as core/shell pairs. See <a class="reference internal" href="Section_howto.html#howto-25"><span class="std std-ref">Section 6.25</span></a> for more discussion on how to do this.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a global scalar (the temperature) and a global
vector of length 6 (KE tensor), which can be accessed by indices 1-6.
@@ -228,6 +383,15 @@ be used which generate new molecules or atoms during a simulation.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_deform.html" class="btn btn-neutral float-right" title="compute temp/deform command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_com.html" class="btn btn-neutral" title="compute temp/com command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_deform.html b/doc/html/compute_temp_deform.html
index 6989e26bf1c128ca15afe0f98e22cc3cda57e217..d1b1ad4084de74f81922c1bc31ef7a993006919f 100644
--- a/doc/html/compute_temp_deform.html
+++ b/doc/html/compute_temp_deform.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/deform/eff command" href="compute_temp_deform_eff.html"/>
+ <link rel="prev" title="compute temp/cs command" href="compute_temp_cs.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/deform command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/deform command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_deform_eff.html" class="btn btn-neutral float-right" title="compute temp/deform/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_cs.html" class="btn btn-neutral" title="compute temp/cs command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -250,6 +405,15 @@ vector values will be in energy <a class="reference internal" href="units.html">
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_deform_eff.html" class="btn btn-neutral float-right" title="compute temp/deform/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+ <a href="compute_temp_cs.html" class="btn btn-neutral" title="compute temp/cs command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_deform_eff.html b/doc/html/compute_temp_deform_eff.html
index d83f6011d63bbc9f13dcebbd95cc51f3f5c02361..67ac3678051a1a6cb14039bd758dced155b5c3ba 100644
--- a/doc/html/compute_temp_deform_eff.html
+++ b/doc/html/compute_temp_deform_eff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/drude command" href="compute_temp_drude.html"/>
+ <link rel="prev" title="compute temp/deform command" href="compute_temp_deform.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/deform/eff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/deform/eff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_drude.html" class="btn btn-neutral float-right" title="compute temp/drude command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_deform.html" class="btn btn-neutral" title="compute temp/deform command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -191,6 +346,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_drude.html" class="btn btn-neutral float-right" title="compute temp/drude command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_deform.html" class="btn btn-neutral" title="compute temp/deform command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_drude.html b/doc/html/compute_temp_drude.html
index 5e49888136f77e3b01ac8fc9965ccbb29a544cfc..9da9895636c51e3bb3d87d5aa0febc28e9968138 100644
--- a/doc/html/compute_temp_drude.html
+++ b/doc/html/compute_temp_drude.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/eff command" href="compute_temp_eff.html"/>
+ <link rel="prev" title="compute temp/deform/eff command" href="compute_temp_deform_eff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/drude command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/drude command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_eff.html" class="btn btn-neutral float-right" title="compute temp/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_deform_eff.html" class="btn btn-neutral" title="compute temp/deform/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -198,6 +353,15 @@ assumed to be constant for the duration of the run unless the
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_eff.html" class="btn btn-neutral float-right" title="compute temp/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_deform_eff.html" class="btn btn-neutral" title="compute temp/deform/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_eff.html b/doc/html/compute_temp_eff.html
index d11ad256a80fd9d1db2046c60ad8c3aa256d5768..4f457ec16427f09586c1830e23dc4bcb52d755d3 100644
--- a/doc/html/compute_temp_eff.html
+++ b/doc/html/compute_temp_eff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/partial command" href="compute_temp_partial.html"/>
+ <link rel="prev" title="compute temp/drude command" href="compute_temp_drude.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/eff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/eff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_partial.html" class="btn btn-neutral float-right" title="compute temp/partial command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_drude.html" class="btn btn-neutral" title="compute temp/drude command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -215,6 +370,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_partial.html" class="btn btn-neutral float-right" title="compute temp/partial command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_drude.html" class="btn btn-neutral" title="compute temp/drude command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_partial.html b/doc/html/compute_temp_partial.html
index 33460f2218e15c94a7412cbec7377e76a5d10caf..16ae7fceb888f8e075cd13c08b13a45f7b15ce81 100644
--- a/doc/html/compute_temp_partial.html
+++ b/doc/html/compute_temp_partial.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/profile command" href="compute_temp_profile.html"/>
+ <link rel="prev" title="compute temp/eff command" href="compute_temp_eff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/partial command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/partial command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_profile.html" class="btn btn-neutral float-right" title="compute temp/profile command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_eff.html" class="btn btn-neutral" title="compute temp/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -185,7 +340,7 @@ thermostatting.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -195,7 +350,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Output info:</strong></p>
@@ -226,6 +381,15 @@ vector values will be in energy <a class="reference internal" href="units.html">
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_profile.html" class="btn btn-neutral float-right" title="compute temp/profile command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_eff.html" class="btn btn-neutral" title="compute temp/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_profile.html b/doc/html/compute_temp_profile.html
index 849b471064fd7e33d0a4a276f4b377962e787add..0d080701ea7ac3c6d10732e19eab12d77f572d7c 100644
--- a/doc/html/compute_temp_profile.html
+++ b/doc/html/compute_temp_profile.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/ramp command" href="compute_temp_ramp.html"/>
+ <link rel="prev" title="compute temp/partial command" href="compute_temp_partial.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/profile command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/profile command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_ramp.html" class="btn btn-neutral float-right" title="compute temp/ramp command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_partial.html" class="btn btn-neutral" title="compute temp/partial command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +287,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">temp</span><span class="o">/</span><span class="n">profile</span> <span class="n">xflag</span> <span class="n">yflag</span> <span class="n">zflag</span> <span class="n">binstyle</span> <span class="n">args</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>temp/profile = style name of this compute command</li>
-<li>xflag,yflag,zflag = 0/1 for whether to exclude/include this dimension</li>
-<li>binstyle = <em>x</em> or <em>y</em> or <em>z</em> or <em>xy</em> or <em>yz</em> or <em>xz</em> or <em>xyz</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">temp/profile = style name of this compute command</p>
+</li>
+<li><p class="first">xflag,yflag,zflag = 0/1 for whether to exclude/include this dimension</p>
+</li>
+<li><p class="first">binstyle = <em>x</em> or <em>y</em> or <em>z</em> or <em>xy</em> or <em>yz</em> or <em>xz</em> or <em>xyz</em></p>
<pre class="literal-block">
<em>x</em> arg = Nx
<em>y</em> arg = Ny
@@ -147,13 +305,15 @@
<em>xyz</em> args = Nx Ny Nz
Nx,Ny,Nz = number of velocity bins in x,y,z dimensions
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>out</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>out</em></p>
<pre class="literal-block">
<em>out</em> value = <em>tensor</em> or <em>bin</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -292,6 +452,15 @@ will be for most thermostats.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_ramp.html" class="btn btn-neutral float-right" title="compute temp/ramp command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_partial.html" class="btn btn-neutral" title="compute temp/partial command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_ramp.html b/doc/html/compute_temp_ramp.html
index bb551f9957144fd429f085031b81337a3791163b..ab6cbe6eefed40b048a3d47edbddc1a84c26416c 100644
--- a/doc/html/compute_temp_ramp.html
+++ b/doc/html/compute_temp_ramp.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/region command" href="compute_temp_region.html"/>
+ <link rel="prev" title="compute temp/profile command" href="compute_temp_profile.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/ramp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/ramp command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_region.html" class="btn btn-neutral float-right" title="compute temp/region command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+ <a href="compute_temp_profile.html" class="btn btn-neutral" title="compute temp/profile command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -230,6 +386,15 @@ vector values will be in energy <a class="reference internal" href="units.html">
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_region.html" class="btn btn-neutral float-right" title="compute temp/region command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
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+ <a href="compute_temp_profile.html" class="btn btn-neutral" title="compute temp/profile command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_region.html b/doc/html/compute_temp_region.html
index 028fae2b9a515c2ba47c56073f96aa079e3651f1..b2022a8657bb4502d09edac78f99625fe9637ccd 100644
--- a/doc/html/compute_temp_region.html
+++ b/doc/html/compute_temp_region.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/region/eff command" href="compute_temp_region_eff.html"/>
+ <link rel="prev" title="compute temp/ramp command" href="compute_temp_ramp.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/region command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/region command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_region_eff.html" class="btn btn-neutral float-right" title="compute temp/region/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_ramp.html" class="btn btn-neutral" title="compute temp/ramp command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -222,6 +377,15 @@ vector values will be in energy <a class="reference internal" href="units.html">
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_region_eff.html" class="btn btn-neutral float-right" title="compute temp/region/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_ramp.html" class="btn btn-neutral" title="compute temp/ramp command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_region_eff.html b/doc/html/compute_temp_region_eff.html
index 25c158a78c1fae18757592b76edac3d7ccb03123..2a10c2d4dd16916159662e46bb0a8cb0149b2443 100644
--- a/doc/html/compute_temp_region_eff.html
+++ b/doc/html/compute_temp_region_eff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/rotate command" href="compute_temp_rotate.html"/>
+ <link rel="prev" title="compute temp/region command" href="compute_temp_region.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/region/eff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/region/eff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_rotate.html" class="btn btn-neutral float-right" title="compute temp/rotate command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_region.html" class="btn btn-neutral" title="compute temp/region command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -182,6 +337,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_rotate.html" class="btn btn-neutral float-right" title="compute temp/rotate command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_region.html" class="btn btn-neutral" title="compute temp/region command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_rotate.html b/doc/html/compute_temp_rotate.html
index dd664c2735171a8d9f8a7dc2c4bbc1dcf1fccefa..f657bba0ccb36988c05a1ffe0bc5889a13ef0f3e 100644
--- a/doc/html/compute_temp_rotate.html
+++ b/doc/html/compute_temp_rotate.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute temp/sphere command" href="compute_temp_sphere.html"/>
+ <link rel="prev" title="compute temp/region/eff command" href="compute_temp_region_eff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/rotate command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/rotate command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_sphere.html" class="btn btn-neutral float-right" title="compute temp/sphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_region_eff.html" class="btn btn-neutral" title="compute temp/region/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -208,6 +363,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_temp_sphere.html" class="btn btn-neutral float-right" title="compute temp/sphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_region_eff.html" class="btn btn-neutral" title="compute temp/region/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_temp_sphere.html b/doc/html/compute_temp_sphere.html
index 0dec80de72b5b487cd76b926c5b486a0c45c9d89..c5ad097c3e0115929dd30cd19ff8705b3b387be0 100644
--- a/doc/html/compute_temp_sphere.html
+++ b/doc/html/compute_temp_sphere.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute ti command" href="compute_ti.html"/>
+ <link rel="prev" title="compute temp/rotate command" href="compute_temp_rotate.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute temp/sphere command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute temp/sphere command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_ti.html" class="btn btn-neutral float-right" title="compute ti command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_rotate.html" class="btn btn-neutral" title="compute temp/rotate command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +287,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">temp</span><span class="o">/</span><span class="n">sphere</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>temp/sphere = style name of this compute command</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>bias</em> or <em>dof</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">temp/sphere = style name of this compute command</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>bias</em> or <em>dof</em></p>
<pre class="literal-block">
<em>bias</em> value = bias-ID
bias-ID = ID of a temperature compute that removes a velocity bias
@@ -144,6 +302,8 @@
all = compute temperature of translational and rotational degrees of freedom
rotate = compute temperature of just rotational degrees of freedom
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -252,6 +412,15 @@ particles with radius = 0.0.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_ti.html" class="btn btn-neutral float-right" title="compute ti command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_rotate.html" class="btn btn-neutral" title="compute temp/rotate command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_ti.html b/doc/html/compute_ti.html
index 8d6198637d0904312ec440007c3489d54f65020f..2d733fe2c1f7515c995d87b9f472133f34991d1c 100644
--- a/doc/html/compute_ti.html
+++ b/doc/html/compute_ti.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute torque/chunk command" href="compute_torque_chunk.html"/>
+ <link rel="prev" title="compute temp/sphere command" href="compute_temp_sphere.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute ti command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute ti command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_torque_chunk.html" class="btn btn-neutral float-right" title="compute torque/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_sphere.html" class="btn btn-neutral" title="compute temp/sphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +286,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span> <span class="n">ti</span> <span class="n">keyword</span> <span class="n">args</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>ti = style name of this compute command</li>
-<li>one or more attribute/arg pairs may be appended</li>
-<li>keyword = pair style (lj/cut, gauss, born, etc) or <em>tail</em> or <em>kspace</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">ti = style name of this compute command</p>
+</li>
+<li><p class="first">one or more attribute/arg pairs may be appended</p>
+</li>
+<li><p class="first">keyword = pair style (lj/cut, gauss, born, etc) or <em>tail</em> or <em>kspace</em></p>
<pre class="literal-block">
pair style args = atype v_name1 v_name2
atype = atom type (see asterisk form below)
@@ -151,6 +308,8 @@ pair style args = atype v_name1 v_name2
v_name1 = variable with name1 that is K-Space scale factor and function of lambda
v_name2 = variable with name2 that is derivative of v_name1 with respect to lambda
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -223,7 +382,7 @@ du/dl can be found in the paper by <a class="reference internal" href="#eike"><s
<p><strong>Output info:</strong></p>
<p>This compute calculates a global scalar, namely dUs/dlambda. This
value can be used by any command that uses a global scalar value from
-a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The scalar value calculated by this compute is “extensive”.</p>
<p>The scalar value will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -247,6 +406,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_torque_chunk.html" class="btn btn-neutral float-right" title="compute torque/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_temp_sphere.html" class="btn btn-neutral" title="compute temp/sphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_torque_chunk.html b/doc/html/compute_torque_chunk.html
index 2aead7d1bf2e76b44aa06355270b1988a748b851..e0d5762fefffba7bfab9dbf440b9c0f831dc15fd 100644
--- a/doc/html/compute_torque_chunk.html
+++ b/doc/html/compute_torque_chunk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute vacf command" href="compute_vacf.html"/>
+ <link rel="prev" title="compute ti command" href="compute_ti.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute torque/chunk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute torque/chunk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_vacf.html" class="btn btn-neutral float-right" title="compute vacf command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_ti.html" class="btn btn-neutral" title="compute ti command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -150,7 +305,7 @@ atoms.</p>
<p>In LAMMPS, chunks are collections of atoms defined by a <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command, which assigns each atom
to a single chunk (or no chunk). The ID for this command is specified
as chunkID. For example, a single chunk could be the atoms in a
-molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and “<a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section_howto 23</span></a> for details of how chunks can be
+molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and <a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section 6.23</span></a> for details of how chunks can be
defined and examples of how they can be used to measure properties of
a system.</p>
<p>This compute calculates the 3 components of the torque vector for eqch
@@ -187,7 +342,7 @@ fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
number of chunks <em>Nchunk</em> as calculated by the specified <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command. The number of columns =
3 for the 3 xyz components of the torque for each chunk. These values
can be accessed by any command that uses global array values from a
-compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a>
+compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a>
for an overview of LAMMPS output options.</p>
<p>The array values are “intensive”. The array values will be in
force-distance <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -209,6 +364,15 @@ force-distance <a class="reference internal" href="units.html"><span class="doc"
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_vacf.html" class="btn btn-neutral float-right" title="compute vacf command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_ti.html" class="btn btn-neutral" title="compute ti command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_vacf.html b/doc/html/compute_vacf.html
index d9f174a2944d8a670589a85d9fa4a4c2ee01d7ed..36d1c94cbd37ef98008489c7ed09679f54f3db1f 100644
--- a/doc/html/compute_vacf.html
+++ b/doc/html/compute_vacf.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute vcm/chunk command" href="compute_vcm_chunk.html"/>
+ <link rel="prev" title="compute torque/chunk command" href="compute_torque_chunk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute vacf command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute vacf command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_vcm_chunk.html" class="btn btn-neutral float-right" title="compute vcm/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_torque_chunk.html" class="btn btn-neutral" title="compute torque/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -199,6 +354,15 @@ velocity^2 <a class="reference internal" href="units.html"><span class="doc">uni
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_vcm_chunk.html" class="btn btn-neutral float-right" title="compute vcm/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_torque_chunk.html" class="btn btn-neutral" title="compute torque/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_vcm_chunk.html b/doc/html/compute_vcm_chunk.html
index c8574fa37f741d504b15430168e497a1301a7145..d3e5a6a5095161d39ea23ceada01b1fc4b211aec 100644
--- a/doc/html/compute_vcm_chunk.html
+++ b/doc/html/compute_vcm_chunk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute voronoi/atom command" href="compute_voronoi_atom.html"/>
+ <link rel="prev" title="compute vacf command" href="compute_vacf.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,145 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute vcm/chunk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +252,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute vcm/chunk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +265,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_voronoi_atom.html" class="btn btn-neutral float-right" title="compute voronoi/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_vacf.html" class="btn btn-neutral" title="compute vacf command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -150,7 +304,7 @@ multiple chunks of atoms.</p>
<p>In LAMMPS, chunks are collections of atoms defined by a <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command, which assigns each atom
to a single chunk (or no chunk). The ID for this command is specified
as chunkID. For example, a single chunk could be the atoms in a
-molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and “<a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section_howto 23</span></a> for details of how chunks can be
+molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and <a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section 6.23</span></a> for details of how chunks can be
defined and examples of how they can be used to measure properties of
a system.</p>
<p>This compute calculates the x,y,z components of the center-of-mass
@@ -177,7 +331,7 @@ fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
number of chunks <em>Nchunk</em> as calculated by the specified <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command. The number of columns =
3 for the x,y,z center-of-mass velocity coordinates of each chunk.
These values can be accessed by any command that uses global array
-values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options.</p>
<p>The array values are “intensive”. The array values will be in
velocity <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
@@ -196,6 +350,15 @@ velocity <a class="reference internal" href="units.html"><span class="doc">units
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_voronoi_atom.html" class="btn btn-neutral float-right" title="compute voronoi/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_vacf.html" class="btn btn-neutral" title="compute vacf command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_voronoi_atom.html b/doc/html/compute_voronoi_atom.html
index ed4cd612a1814510d1d9d76d382645c7116f8115..5530c0c63a15a59bb7e986bef44f89745f009857 100644
--- a/doc/html/compute_voronoi_atom.html
+++ b/doc/html/compute_voronoi_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="compute xrd command" href="compute_xrd.html"/>
+ <link rel="prev" title="compute vcm/chunk command" href="compute_vcm_chunk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,146 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute voronoi/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +253,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute voronoi/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +266,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_xrd.html" class="btn btn-neutral float-right" title="compute xrd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_vcm_chunk.html" class="btn btn-neutral" title="compute vcm/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,13 +286,15 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">voronoi</span><span class="o">/</span><span class="n">atom</span> <span class="n">keyword</span> <span class="n">arg</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>voronoi/atom = style name of this compute command</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>only_group</em> or <em>surface</em> or <em>radius</em> or <em>edge_histo</em> or <em>edge_threshold</em>
-or <em>face_threshold</em> or <em>neighbors</em> or <em>peratom</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">voronoi/atom = style name of this compute command</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>only_group</em> or <em>surface</em> or <em>radius</em> or <em>edge_histo</em> or <em>edge_threshold</em>
+or <em>face_threshold</em> or <em>neighbors</em> or <em>peratom</em></p>
<pre class="literal-block">
<em>only_group</em> = no arg
<em>occupation</em> = no arg
@@ -155,6 +312,8 @@ or <em>face_threshold</em> or <em>neighbors</em> or <em>peratom</em></li>
<em>neighbors</em> value = <em>yes</em> or <em>no</em> = store list of all neighbors or no
<em>peratom</em> value = <em>yes</em> or <em>no</em> = per-atom quantities accessible or no
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -296,7 +455,7 @@ columns. In regular dynamic tessellation mode the first column is the
Voronoi volume, the second is the neighbor count, as described above
(read above for the output data in case the <em>occupation</em> keyword is
specified). These values can be accessed by any command that uses
-per-atom values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
+per-atom values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section 6.15</span></a> for an overview of LAMMPS output
options. If the <em>peratom</em> keyword is set to “no”, the per-atom array
is still created, but it is not accessible.</p>
<p>If the <em>edge_histo</em> keyword is used, then this compute generates a
@@ -335,6 +494,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_xrd.html" class="btn btn-neutral float-right" title="compute xrd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_vcm_chunk.html" class="btn btn-neutral" title="compute vcm/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/compute_xrd.html b/doc/html/compute_xrd.html
index caeec6cf77fb26b254a9eeb38f4a7965ad158bd9..11c0cd097440c29ed1b250c0060966c2b09827d2 100644
--- a/doc/html/compute_xrd.html
+++ b/doc/html/compute_xrd.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Computes" href="computes.html"/>
+ <link rel="next" title="Pair Styles" href="pairs.html"/>
+ <link rel="prev" title="compute voronoi/atom command" href="compute_voronoi_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,147 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">compute xrd command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +254,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="computes.html">Computes</a> »</li>
+
<li>compute xrd command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +267,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pairs.html" class="btn btn-neutral float-right" title="Pair Styles" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_voronoi_atom.html" class="btn btn-neutral" title="compute voronoi/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,14 +287,18 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">xrd</span> <span class="k">lambda</span> <span class="n">type1</span> <span class="n">type2</span> <span class="o">...</span> <span class="n">typeN</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
-<li>xrd = style name of this compute command</li>
-<li>lambda = wavelength of incident radiation (length units)</li>
-<li>type1 type2 ... typeN = chemical symbol of each atom type (see valid options below)</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>2Theta</em> or <em>c</em> or <em>LP</em> or <em>manual</em> or <em>echo</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
+</li>
+<li><p class="first">xrd = style name of this compute command</p>
+</li>
+<li><p class="first">lambda = wavelength of incident radiation (length units)</p>
+</li>
+<li><p class="first">type1 type2 ... typeN = chemical symbol of each atom type (see valid options below)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>2Theta</em> or <em>c</em> or <em>LP</em> or <em>manual</em> or <em>echo</em></p>
<pre class="literal-block">
<em>2Theta</em> values = Min2Theta Max2Theta
Min2Theta,Max2Theta = minimum and maximum 2 theta range to explore
@@ -152,6 +312,8 @@
based on the values of the <em>c</em> parameters
<em>echo</em> = flag to provide extra output for debugging purposes
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -225,69 +387,269 @@ The analytic approximation is computed using the formula
<p>Coefficients parameterized by <a class="reference internal" href="#peng"><span class="std std-ref">(Peng)</span></a> are assigned for each
atom type designating the chemical symbol and charge of each atom
type. Valid chemical symbols for compute xrd are:</p>
-<dl class="docutils">
-<dt>H: He1-: He: Li: Li1+:</dt>
-<dd><blockquote class="first">
-<div><blockquote>
-<div><dl class="docutils">
-<dt>Be: Be2+: B: C: Cval:</dt>
-<dd>N: O: O1-: F: F1-:</dd>
-</dl>
-<p>Ne: Na: Na1+: Mg: Mg2+:
-Al: Al3+: Si: Sival: Si4+:</p>
-<blockquote>
-<div>P: S: Cl: Cl1-: Ar:
-K: Ca: Ca2+: Sc: Sc3+:</div></blockquote>
-<p>Ti: Ti2+: Ti3+: Ti4+: V:</p>
-</div></blockquote>
-<p>V2+: V3+: V5+: Cr: Cr2+:</p>
-</div></blockquote>
-<dl class="docutils">
-<dt>Cr3+: Mn: Mn2+: Mn3+: Mn4+:</dt>
-<dd>Fe: Fe2+: Fe3+: Co: Co2+:
-Co: Ni: Ni2+: Ni3+: Cu:</dd>
-</dl>
-<p>Cu1+: Cu2+: Zn: Zn2+: Ga:
-Ga3+: Ge: Ge4+: As: Se:</p>
-<blockquote>
-<div>Br: Br1-: Kr: Rb: Rb1+:
-Sr: Sr2+: Y: Y3+: Zr:</div></blockquote>
-<p>Zr4+: Nb: Nb3+: Nb5+: Mo:
-Mo3+: Mo5+: Mo6+: Tc: Ru:
-Ru3+: Ru4+: Rh: Rh3+: Rh4+:</p>
-<blockquote>
-<div>Pd: Pd2+: Pd4+: Ag: Ag1+:</div></blockquote>
-<dl class="docutils">
-<dt>Ag2+: Cd: Cd2+: In: In3+:</dt>
-<dd>Sn: Sn2+: Sn4+: Sb: Sb3+:</dd>
-<dt>Sb5+: Te: I: I1-: Xe:</dt>
-<dd>Cs: Cs1+: Ba: Ba2+: La:</dd>
-</dl>
-<p>La3+: Ce: Ce3+: Ce4+: Pr:
-Pr3+: Pr4+: Nd: Nd3+: Pm:
-Pm3+: Sm: Sm3+: Eu: Eu2+:
-Eu3+: Gd: Gd3+: Tb: Tb3+:</p>
-<blockquote>
-<div>Dy: Dy3+: Ho: Ho3+: Er:</div></blockquote>
-<p>Er3+: Tm: Tm3+: Yb: Yb2+:
-Yb3+: Lu: Lu3+: Hf: Hf4+:</p>
-<blockquote>
-<div>Ta: Ta5+: W: W6+: Re:
-Os: Os4+: Ir: Ir3+: Ir4+:
-Pt: Pt2+: Pt4+: Au: Au1+:</div></blockquote>
-<p>Au3+: Hg: Hg1+: Hg2+: Tl:
-Tl1+: Tl3+: Pb: Pb2+: Pb4+:</p>
-<blockquote>
-<div>Bi: Bi3+: Bi5+: Po: At:
-Rn: Fr: Ra: Ra2+: Ac:</div></blockquote>
-<dl class="docutils">
-<dt>Ac3+: Th: Th4+: Pa: U:</dt>
-<dd>U3+: U4+: U6+: Np: Np3+:</dd>
-</dl>
-<p class="last">Np4+: Np6+: Pu: Pu3+: Pu4+:
-Pu6+: Am: Cm: Bk: Cf:tb(c=5,s=:)</p>
-</dd>
-</dl>
+<table border="1" class="docutils">
+<colgroup>
+<col width="19%" />
+<col width="19%" />
+<col width="19%" />
+<col width="23%" />
+<col width="19%" />
+</colgroup>
+<tbody valign="top">
+<tr class="row-odd"><td>H</td>
+<td>He1-</td>
+<td>He</td>
+<td>Li</td>
+<td>Li1+</td>
+</tr>
+<tr class="row-even"><td>Be</td>
+<td>Be2+</td>
+<td>B</td>
+<td>C</td>
+<td>Cval</td>
+</tr>
+<tr class="row-odd"><td>N</td>
+<td>O</td>
+<td>O1-</td>
+<td>F</td>
+<td>F1-</td>
+</tr>
+<tr class="row-even"><td>Ne</td>
+<td>Na</td>
+<td>Na1+</td>
+<td>Mg</td>
+<td>Mg2+</td>
+</tr>
+<tr class="row-odd"><td>Al</td>
+<td>Al3+</td>
+<td>Si</td>
+<td>Sival</td>
+<td>Si4+</td>
+</tr>
+<tr class="row-even"><td>P</td>
+<td>S</td>
+<td>Cl</td>
+<td>Cl1-</td>
+<td>Ar</td>
+</tr>
+<tr class="row-odd"><td>K</td>
+<td>Ca</td>
+<td>Ca2+</td>
+<td>Sc</td>
+<td>Sc3+</td>
+</tr>
+<tr class="row-even"><td>Ti</td>
+<td>Ti2+</td>
+<td>Ti3+</td>
+<td>Ti4+</td>
+<td>V</td>
+</tr>
+<tr class="row-odd"><td>V2+</td>
+<td>V3+</td>
+<td>V5+</td>
+<td>Cr</td>
+<td>Cr2+</td>
+</tr>
+<tr class="row-even"><td>Cr3+</td>
+<td>Mn</td>
+<td>Mn2+</td>
+<td>Mn3+</td>
+<td>Mn4+</td>
+</tr>
+<tr class="row-odd"><td>Fe</td>
+<td>Fe2+</td>
+<td>Fe3+</td>
+<td>Co</td>
+<td>Co2+</td>
+</tr>
+<tr class="row-even"><td>Co</td>
+<td>Ni</td>
+<td>Ni2+</td>
+<td>Ni3+</td>
+<td>Cu</td>
+</tr>
+<tr class="row-odd"><td>Cu1+</td>
+<td>Cu2+</td>
+<td>Zn</td>
+<td>Zn2+</td>
+<td>Ga</td>
+</tr>
+<tr class="row-even"><td>Ga3+</td>
+<td>Ge</td>
+<td>Ge4+</td>
+<td>As</td>
+<td>Se</td>
+</tr>
+<tr class="row-odd"><td>Br</td>
+<td>Br1-</td>
+<td>Kr</td>
+<td>Rb</td>
+<td>Rb1+</td>
+</tr>
+<tr class="row-even"><td>Sr</td>
+<td>Sr2+</td>
+<td>Y</td>
+<td>Y3+</td>
+<td>Zr</td>
+</tr>
+<tr class="row-odd"><td>Zr4+</td>
+<td>Nb</td>
+<td>Nb3+</td>
+<td>Nb5+</td>
+<td>Mo</td>
+</tr>
+<tr class="row-even"><td>Mo3+</td>
+<td>Mo5+</td>
+<td>Mo6+</td>
+<td>Tc</td>
+<td>Ru</td>
+</tr>
+<tr class="row-odd"><td>Ru3+</td>
+<td>Ru4+</td>
+<td>Rh</td>
+<td>Rh3+</td>
+<td>Rh4+</td>
+</tr>
+<tr class="row-even"><td>Pd</td>
+<td>Pd2+</td>
+<td>Pd4+</td>
+<td>Ag</td>
+<td>Ag1+</td>
+</tr>
+<tr class="row-odd"><td>Ag2+</td>
+<td>Cd</td>
+<td>Cd2+</td>
+<td>In</td>
+<td>In3+</td>
+</tr>
+<tr class="row-even"><td>Sn</td>
+<td>Sn2+</td>
+<td>Sn4+</td>
+<td>Sb</td>
+<td>Sb3+</td>
+</tr>
+<tr class="row-odd"><td>Sb5+</td>
+<td>Te</td>
+<td>I</td>
+<td>I1-</td>
+<td>Xe</td>
+</tr>
+<tr class="row-even"><td>Cs</td>
+<td>Cs1+</td>
+<td>Ba</td>
+<td>Ba2+</td>
+<td>La</td>
+</tr>
+<tr class="row-odd"><td>La3+</td>
+<td>Ce</td>
+<td>Ce3+</td>
+<td>Ce4+</td>
+<td>Pr</td>
+</tr>
+<tr class="row-even"><td>Pr3+</td>
+<td>Pr4+</td>
+<td>Nd</td>
+<td>Nd3+</td>
+<td>Pm</td>
+</tr>
+<tr class="row-odd"><td>Pm3+</td>
+<td>Sm</td>
+<td>Sm3+</td>
+<td>Eu</td>
+<td>Eu2+</td>
+</tr>
+<tr class="row-even"><td>Eu3+</td>
+<td>Gd</td>
+<td>Gd3+</td>
+<td>Tb</td>
+<td>Tb3+</td>
+</tr>
+<tr class="row-odd"><td>Dy</td>
+<td>Dy3+</td>
+<td>Ho</td>
+<td>Ho3+</td>
+<td>Er</td>
+</tr>
+<tr class="row-even"><td>Er3+</td>
+<td>Tm</td>
+<td>Tm3+</td>
+<td>Yb</td>
+<td>Yb2+</td>
+</tr>
+<tr class="row-odd"><td>Yb3+</td>
+<td>Lu</td>
+<td>Lu3+</td>
+<td>Hf</td>
+<td>Hf4+</td>
+</tr>
+<tr class="row-even"><td>Ta</td>
+<td>Ta5+</td>
+<td>W</td>
+<td>W6+</td>
+<td>Re</td>
+</tr>
+<tr class="row-odd"><td>Os</td>
+<td>Os4+</td>
+<td>Ir</td>
+<td>Ir3+</td>
+<td>Ir4+</td>
+</tr>
+<tr class="row-even"><td>Pt</td>
+<td>Pt2+</td>
+<td>Pt4+</td>
+<td>Au</td>
+<td>Au1+</td>
+</tr>
+<tr class="row-odd"><td>Au3+</td>
+<td>Hg</td>
+<td>Hg1+</td>
+<td>Hg2+</td>
+<td>Tl</td>
+</tr>
+<tr class="row-even"><td>Tl1+</td>
+<td>Tl3+</td>
+<td>Pb</td>
+<td>Pb2+</td>
+<td>Pb4+</td>
+</tr>
+<tr class="row-odd"><td>Bi</td>
+<td>Bi3+</td>
+<td>Bi5+</td>
+<td>Po</td>
+<td>At</td>
+</tr>
+<tr class="row-even"><td>Rn</td>
+<td>Fr</td>
+<td>Ra</td>
+<td>Ra2+</td>
+<td>Ac</td>
+</tr>
+<tr class="row-odd"><td>Ac3+</td>
+<td>Th</td>
+<td>Th4+</td>
+<td>Pa</td>
+<td>U</td>
+</tr>
+<tr class="row-even"><td>U3+</td>
+<td>U4+</td>
+<td>U6+</td>
+<td>Np</td>
+<td>Np3+</td>
+</tr>
+<tr class="row-odd"><td>Np4+</td>
+<td>Np6+</td>
+<td>Pu</td>
+<td>Pu3+</td>
+<td>Pu4+</td>
+</tr>
+<tr class="row-even"><td>Pu6+</td>
+<td>Am</td>
+<td>Cm</td>
+<td>Bk</td>
+<td>Cf</td>
+</tr>
+</tbody>
+</table>
<p>If the <em>echo</em> keyword is specified, compute xrd will provide extra
reporting information to the screen.</p>
<p><strong>Output info:</strong></p>
@@ -332,6 +694,15 @@ Volume C: Mathematical and Chemical Tables, 249-429 (2004).</p>
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diff --git a/doc/html/computes.html b/doc/html/computes.html
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@@ -0,0 +1,470 @@
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+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_tools.html">9. Additional tools</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying & extending LAMMPS</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
+</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1 current"><a class="current reference internal" href="#">Computes</a><ul>
+<li class="toctree-l2"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
+
+
+
+ </div>
+
+ </nav>
+
+ <section data-toggle="wy-nav-shift" class="wy-nav-content-wrap">
+
+
+ <nav class="wy-nav-top" role="navigation" aria-label="top navigation">
+ <i data-toggle="wy-nav-top" class="fa fa-bars"></i>
+ <a href="Manual.html">LAMMPS</a>
+ </nav>
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+
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+ <div class="wy-nav-content">
+ <div class="rst-content">
+ <div role="navigation" aria-label="breadcrumbs navigation">
+ <ul class="wy-breadcrumbs">
+ <li><a href="Manual.html">Docs</a> »</li>
+
+ <li>Computes</li>
+ <li class="wy-breadcrumbs-aside">
+
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+ <a href="http://lammps.sandia.gov">Website</a>
+ <a href="Section_commands.html#comm">Commands</a>
+
+ </li>
+ </ul>
+ <hr/>
+
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_ackland_atom.html" class="btn btn-neutral float-right" title="compute ackland/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+ <a href="fix_wall_srd.html" class="btn btn-neutral" title="fix wall/srd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
+</div>
+ <div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
+ <div itemprop="articleBody">
+
+ <div class="section" id="computes">
+<h1>Computes</h1>
+<div class="toctree-wrapper compound">
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="compute_ackland_atom.html">compute ackland/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_angle.html">compute angle command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_angle_local.html">compute angle/local command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_angmom_chunk.html">compute angmom/chunk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_basal_atom.html">compute basal/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_body_local.html">compute body/local command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_bond.html">compute bond command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_bond_local.html">compute bond/local command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_centro_atom.html">compute centro/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_chunk_atom.html">compute chunk/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_cluster_atom.html">compute cluster/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_cna_atom.html">compute cna/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_com.html">compute com command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_com_chunk.html">compute com/chunk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_contact_atom.html">compute contact/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_coord_atom.html">compute coord/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_damage_atom.html">compute damage/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_dihedral.html">compute dihedral command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_dihedral_local.html">compute dihedral/local command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_dilatation_atom.html">compute dilatation/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_dipole_chunk.html">compute dipole/chunk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_displace_atom.html">compute displace/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_dpd.html">compute dpd command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_dpd_atom.html">compute dpd/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_erotate_asphere.html">compute erotate/asphere command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_erotate_rigid.html">compute erotate/rigid command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_erotate_sphere.html">compute erotate/sphere command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_erotate_sphere_atom.html">compute erotate/sphere/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_event_displace.html">compute event/displace command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_fep.html">compute fep command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_group_group.html">compute group/group command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_gyration.html">compute gyration command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_gyration_chunk.html">compute gyration/chunk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_heat_flux.html">compute heat/flux command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_hexorder_atom.html">compute hexorder/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_improper.html">compute improper command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_improper_local.html">compute improper/local command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_inertia_chunk.html">compute inertia/chunk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_ke.html">compute ke command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_ke_atom.html">compute ke/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_ke_atom_eff.html">compute ke/atom/eff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_ke_eff.html">compute ke/eff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_ke_rigid.html">compute ke/rigid command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_meso_e_atom.html">compute meso/e/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_meso_rho_atom.html">compute meso/rho/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_meso_t_atom.html">compute meso/t/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_msd.html">compute msd command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_msd_chunk.html">compute msd/chunk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_msd_nongauss.html">compute msd/nongauss command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_omega_chunk.html">compute omega/chunk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_orientorder_atom.html">compute orientorder/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_pair.html">compute pair command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_pair_local.html">compute pair/local command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_pe.html">compute pe command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_pe_atom.html">compute pe/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_plasticity_atom.html">compute plasticity/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_pressure.html">compute pressure command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_property_atom.html">compute property/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_property_chunk.html">compute property/chunk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_property_local.html">compute property/local command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_rdf.html">compute rdf command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_reduce.html">compute reduce command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_reduce.html#compute-reduce-region-command">compute reduce/region command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_rigid_local.html">compute rigid/local command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_saed.html">compute saed command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_slice.html">compute slice command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_contact_radius.html">compute smd/contact/radius command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_damage.html">compute smd/damage command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_hourglass_error.html">compute smd/hourglass/error command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_internal_energy.html">compute smd/internal/energy command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_plastic_strain.html">compute smd/plastic/strain command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_plastic_strain_rate.html">compute smd/plastic/strain/rate command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_rho.html">compute smd/rho command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_tlsph_defgrad.html">compute smd/tlsph/defgrad command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_tlsph_dt.html">compute smd/tlsph/dt command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_tlsph_num_neighs.html">compute smd/tlsph/num/neighs command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_tlsph_shape.html">compute smd/tlsph/shape command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_tlsph_strain.html">compute smd/tlsph/strain command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_tlsph_strain_rate.html">compute smd/tlsph/strain/rate command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_tlsph_stress.html">compute smd/tlsph/stress command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_triangle_mesh_vertices.html">compute smd/triangle/mesh/vertices</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_ulsph_num_neighs.html">compute smd/ulsph/num/neighs command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_ulsph_strain.html">compute smd/ulsph/strain command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_ulsph_strain_rate.html">compute smd/ulsph/strain/rate command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_ulsph_stress.html">compute smd/ulsph/stress command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_smd_vol.html">compute smd/vol command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_sna_atom.html">compute sna/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_sna_atom.html#compute-snad-atom-command">compute snad/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_sna_atom.html#compute-snav-atom-command">compute snav/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_stress_atom.html">compute stress/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_tally.html">compute force/tally command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_tally.html#compute-heat-flux-tally-command">compute heat/flux/tally command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_tally.html#compute-pe-tally-command">compute pe/tally command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_tally.html#compute-pe-mol-tally-command">compute pe/mol/tally command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_tally.html#compute-stress-tally-command">compute stress/tally command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp.html">compute temp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp.html#compute-temp-kk-command">compute temp/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_asphere.html">compute temp/asphere command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_body.html">compute temp/body command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_chunk.html">compute temp/chunk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_com.html">compute temp/com command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_cs.html">compute temp/cs command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_deform.html">compute temp/deform command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_deform_eff.html">compute temp/deform/eff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_drude.html">compute temp/drude command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_eff.html">compute temp/eff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_partial.html">compute temp/partial command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_profile.html">compute temp/profile command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_ramp.html">compute temp/ramp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_region.html">compute temp/region command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_region_eff.html">compute temp/region/eff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_rotate.html">compute temp/rotate command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_temp_sphere.html">compute temp/sphere command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_ti.html">compute ti command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_torque_chunk.html">compute torque/chunk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_vacf.html">compute vacf command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_vcm_chunk.html">compute vcm/chunk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_voronoi_atom.html">compute voronoi/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="compute_xrd.html">compute xrd command</a></li>
+</ul>
+</div>
+</div>
+
+
+ </div>
+ </div>
+ <footer>
+
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="compute_ackland_atom.html" class="btn btn-neutral float-right" title="compute ackland/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_wall_srd.html" class="btn btn-neutral" title="fix wall/srd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
+
+ <hr/>
+
+ <div role="contentinfo">
+ <p>
+ © Copyright 2013 Sandia Corporation.
+ </p>
+ </div>
+ Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a <a href="https://github.com/snide/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>.
+
+</footer>
+
+ </div>
+ </div>
+
+ </section>
+
+ </div>
+
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+
+
+
+ <script type="text/javascript">
+ var DOCUMENTATION_OPTIONS = {
+ URL_ROOT:'./',
+ VERSION:'',
+ COLLAPSE_INDEX:false,
+ FILE_SUFFIX:'.html',
+ HAS_SOURCE: true
+ };
+ </script>
+ <script type="text/javascript" src="_static/jquery.js"></script>
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+ jQuery(function () {
+ SphinxRtdTheme.StickyNav.enable();
+ });
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+
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+</body>
+</html>
\ No newline at end of file
diff --git a/doc/html/create_atoms.html b/doc/html/create_atoms.html
index 3786038236335f532c42a5e0177069d9a6b381c8..fdf3abf1824bb0954458053944b0bed5541b31c2 100644
--- a/doc/html/create_atoms.html
+++ b/doc/html/create_atoms.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="create_bonds command" href="create_bonds.html"/>
+ <link rel="prev" title="compute_modify command" href="compute_modify.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">create_atoms command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>create_atoms command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="create_bonds.html" class="btn btn-neutral float-right" title="create_bonds command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_modify.html" class="btn btn-neutral" title="compute_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,10 +275,10 @@
<pre class="literal-block">
create_atoms type style args keyword values ...
</pre>
-<ul class="simple">
-<li>type = atom type (1-Ntypes) of atoms to create (offset for molecule creation)</li>
-<li>style = <em>box</em> or <em>region</em> or <em>single</em> or <em>random</em></li>
-</ul>
+<ul>
+<li><p class="first">type = atom type (1-Ntypes) of atoms to create (offset for molecule creation)</p>
+</li>
+<li><p class="first">style = <em>box</em> or <em>region</em> or <em>single</em> or <em>random</em></p>
<pre class="literal-block">
<em>box</em> args = none
<em>region</em> args = region-ID
@@ -146,10 +290,10 @@ create_atoms type style args keyword values ...
seed = random # seed (positive integer)
region-ID = create atoms within this region, use NULL for entire simulation box
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>mol</em> or <em>basis</em> or <em>remap</em> or <em>var</em> or <em>set</em> or <em>units</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>mol</em> or <em>basis</em> or <em>remap</em> or <em>var</em> or <em>set</em> or <em>units</em></p>
<pre class="literal-block">
<em>mol</em> value = template-ID seed
template-ID = ID of molecule template specified in a separate <a class="reference internal" href="molecule.html"><span class="doc">molecule</span></a> command
@@ -169,6 +313,8 @@ create_atoms type style args keyword values ...
<em>lattice</em> = the geometry is defined in lattice units
<em>box</em> = the geometry is defined in simulation box units
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -435,6 +581,15 @@ random, and <em>units</em> = lattice.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="create_bonds.html" class="btn btn-neutral float-right" title="create_bonds command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="compute_modify.html" class="btn btn-neutral" title="compute_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/create_bonds.html b/doc/html/create_bonds.html
index fe90e2311e591847ced0c568b6dbdf41134c179a..9db231ef15cb95756d0b47dea8b7e819861ce597 100644
--- a/doc/html/create_bonds.html
+++ b/doc/html/create_bonds.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="create_box command" href="create_box.html"/>
+ <link rel="prev" title="create_atoms command" href="create_atoms.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">create_bonds command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>create_bonds command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="create_box.html" class="btn btn-neutral float-right" title="create_box command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="create_atoms.html" class="btn btn-neutral" title="create_atoms command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -232,6 +375,15 @@ molecule template files via the <a class="reference internal" href="molecule.htm
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="create_box.html" class="btn btn-neutral float-right" title="create_box command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="create_atoms.html" class="btn btn-neutral" title="create_atoms command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/create_box.html b/doc/html/create_box.html
index 69c876edc346108d8a8eb983bac00b6ef5472ad4..b293ee0fd3d09cdf3a53c350f742310e4a42c95a 100644
--- a/doc/html/create_box.html
+++ b/doc/html/create_box.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="delete_atoms command" href="delete_atoms.html"/>
+ <link rel="prev" title="create_bonds command" href="create_bonds.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">create_box command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>create_box command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="delete_atoms.html" class="btn btn-neutral float-right" title="delete_atoms command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="create_bonds.html" class="btn btn-neutral" title="create_bonds command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +274,14 @@
<pre class="literal-block">
create_box N region-ID keyword value ...
</pre>
-<ul class="simple">
-<li>N = # of atom types to use in this simulation</li>
-<li>region-ID = ID of region to use as simulation domain</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>bond/types</em> or <em>angle/types</em> or <em>dihedral/types</em> or <em>improper/types</em> or <em>extra/bond/per/atom</em> or <em>extra/angle/per/atom</em> or <em>extra/dihedral/per/atom</em> or <em>extra/improper/per/atom</em></li>
-</ul>
+<ul>
+<li><p class="first">N = # of atom types to use in this simulation</p>
+</li>
+<li><p class="first">region-ID = ID of region to use as simulation domain</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>bond/types</em> or <em>angle/types</em> or <em>dihedral/types</em> or <em>improper/types</em> or <em>extra/bond/per/atom</em> or <em>extra/angle/per/atom</em> or <em>extra/dihedral/per/atom</em> or <em>extra/improper/per/atom</em></p>
<pre class="literal-block">
<em>bond/types</em> value = # of bond types
<em>angle/types</em> value = # of angle types
@@ -148,6 +293,8 @@ create_box N region-ID keyword value ...
<em>extra/improper/per/atom</em> value = # of impropers per atom
<em>extra/special/per/atom</em> value = # of special neighbors per atom
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -191,7 +338,7 @@ geometrically equivalent. If you wish to define a box with tilt
factors that exceed these limits, you can use the <a class="reference internal" href="box.html"><span class="doc">box tilt</span></a>
command, with a setting of <em>large</em>; a setting of <em>small</em> is the
default.</p>
-<p>See <a class="reference internal" href="Section_howto.html#howto-12"><span class="std std-ref">Section_howto 12</span></a> of the doc pages
+<p>See <a class="reference internal" href="Section_howto.html#howto-12"><span class="std std-ref">Section 6.12</span></a> of the doc pages
for a geometric description of triclinic boxes, as defined by LAMMPS,
and how to transform these parameters to and from other commonly used
triclinic representations.</p>
@@ -267,6 +414,15 @@ been previously defined to use this command.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="delete_atoms.html" class="btn btn-neutral float-right" title="delete_atoms command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="create_bonds.html" class="btn btn-neutral" title="create_bonds command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/delete_atoms.html b/doc/html/delete_atoms.html
index cb151917cc7b9f4163be1177e334ff69f94d4129..87e2d932fd2b989790be570316761705fe99a1b5 100644
--- a/doc/html/delete_atoms.html
+++ b/doc/html/delete_atoms.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="delete_bonds command" href="delete_bonds.html"/>
+ <link rel="prev" title="create_box command" href="create_box.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">delete_atoms command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>delete_atoms command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="delete_bonds.html" class="btn btn-neutral float-right" title="delete_bonds command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="create_box.html" class="btn btn-neutral" title="create_box command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,9 +275,8 @@
<pre class="literal-block">
delete_atoms style args keyword value ...
</pre>
-<ul class="simple">
-<li>style = <em>group</em> or <em>region</em> or <em>overlap</em> or <em>porosity</em></li>
-</ul>
+<ul>
+<li><p class="first">style = <em>group</em> or <em>region</em> or <em>overlap</em> or <em>porosity</em></p>
<pre class="literal-block">
<em>group</em> args = group-ID
<em>region</em> args = region-ID
@@ -146,15 +289,17 @@ delete_atoms style args keyword value ...
fraction = delete this fraction of atoms
seed = random number seed (positive integer)
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>compress</em> or <em>bond</em> or <em>mol</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>compress</em> or <em>bond</em> or <em>mol</em></p>
<pre class="literal-block">
<em>compress</em> value = <em>no</em> or <em>yes</em>
<em>bond</em> value = <em>no</em> or <em>yes</em>
<em>mol</em> value = <em>no</em> or <em>yes</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -269,6 +414,15 @@ using molecule template files via the <a class="reference internal" href="molecu
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="delete_bonds.html" class="btn btn-neutral float-right" title="delete_bonds command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="create_box.html" class="btn btn-neutral" title="create_box command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/delete_bonds.html b/doc/html/delete_bonds.html
index b10ff2515d703982b40a5ff1993b028cfb5ec7f2..982390386d72d57d9e9fcad0481f6b7691679073 100644
--- a/doc/html/delete_bonds.html
+++ b/doc/html/delete_bonds.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="dielectric command" href="dielectric.html"/>
+ <link rel="prev" title="delete_atoms command" href="delete_atoms.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">delete_bonds command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>delete_bonds command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dielectric.html" class="btn btn-neutral float-right" title="dielectric command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="delete_atoms.html" class="btn btn-neutral" title="delete_atoms command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -139,8 +282,6 @@ delete_bonds group-ID style arg keyword ...
<dd><p class="first last"><em>improper</em> or <em>stats</em></p>
</dd>
</dl>
-</li>
-</ul>
<pre class="literal-block">
<em>multi</em> arg = none
<em>atom</em> arg = an atom type or range of types (see below)
@@ -150,9 +291,11 @@ delete_bonds group-ID style arg keyword ...
<em>improper</em> arg = an improper type or range of types (see below)
<em>stats</em> arg = none
</pre>
-<ul class="simple">
-<li>zero or more keywords may be appended</li>
-<li>keyword = <em>any</em> or <em>undo</em> or <em>remove</em> or <em>special</em></li>
+</li>
+<li><p class="first">zero or more keywords may be appended</p>
+</li>
+<li><p class="first">keyword = <em>any</em> or <em>undo</em> or <em>remove</em> or <em>special</em></p>
+</li>
</ul>
</div>
<div class="section" id="examples">
@@ -273,6 +416,15 @@ which case you probably should be recomputing the weighting list.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dielectric.html" class="btn btn-neutral float-right" title="dielectric command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="delete_atoms.html" class="btn btn-neutral" title="delete_atoms command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dielectric.html b/doc/html/dielectric.html
index e9359f64b89f3ecc93104c4193d62e63d3057375..f4983c1c969d483bb0ce682d21006577790944f3 100644
--- a/doc/html/dielectric.html
+++ b/doc/html/dielectric.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="dihedral_coeff command" href="dihedral_coeff.html"/>
+ <link rel="prev" title="delete_bonds command" href="delete_bonds.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dielectric command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>dielectric command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_coeff.html" class="btn btn-neutral float-right" title="dihedral_coeff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="delete_bonds.html" class="btn btn-neutral" title="delete_bonds command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -173,6 +317,15 @@ details.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_coeff.html" class="btn btn-neutral float-right" title="dihedral_coeff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="delete_bonds.html" class="btn btn-neutral" title="delete_bonds command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_charmm.html b/doc/html/dihedral_charmm.html
index 9794ca050e7f75cfddad3522a7cdb6a3ff04484f..e1b2a0127a72e67b3af36b015f4562d52aed7bb7 100644
--- a/doc/html/dihedral_charmm.html
+++ b/doc/html/dihedral_charmm.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="dihedral_style class2 command" href="dihedral_class2.html"/>
+ <link rel="prev" title="Dihedral Styles" href="dihedrals.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,96 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +203,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="dihedrals.html">Dihedral Styles</a> »</li>
+
<li>dihedral_style charmm command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +216,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_class2.html" class="btn btn-neutral float-right" title="dihedral_style class2 command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedrals.html" class="btn btn-neutral" title="Dihedral Styles" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -207,7 +312,7 @@ non-bonded interactions.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -217,7 +322,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -243,6 +348,15 @@ Fischer, Gao, Guo, Ha, et al, J Phys Chem B, 102, 3586 (1998).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_class2.html" class="btn btn-neutral float-right" title="dihedral_style class2 command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedrals.html" class="btn btn-neutral" title="Dihedral Styles" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_class2.html b/doc/html/dihedral_class2.html
index e9556733e25d1ca895e7418cb3678b4616f3dedb..256a62731fd19266f05d824362c051343eb0dbf2 100644
--- a/doc/html/dihedral_class2.html
+++ b/doc/html/dihedral_class2.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="dihedral_style cosine/shift/exp command" href="dihedral_cosine_shift_exp.html"/>
+ <link rel="prev" title="dihedral_style charmm command" href="dihedral_charmm.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,96 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +203,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="dihedrals.html">Dihedral Styles</a> »</li>
+
<li>dihedral_style class2 command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +216,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_cosine_shift_exp.html" class="btn btn-neutral float-right" title="dihedral_style cosine/shift/exp command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_charmm.html" class="btn btn-neutral" title="dihedral_style charmm command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -255,7 +360,7 @@ listed under a “BondBond13 Coeffs” heading and you must leave out th
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -265,7 +370,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -289,6 +394,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_cosine_shift_exp.html" class="btn btn-neutral float-right" title="dihedral_style cosine/shift/exp command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_charmm.html" class="btn btn-neutral" title="dihedral_style charmm command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_coeff.html b/doc/html/dihedral_coeff.html
index 1c150bd7af13ee81948d032fd3698ed59faa229b..893ef7eadf51de3b2b94a93b19a9b3cfe2a91f71 100644
--- a/doc/html/dihedral_coeff.html
+++ b/doc/html/dihedral_coeff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="dihedral_style command" href="dihedral_style.html"/>
+ <link rel="prev" title="dielectric command" href="dielectric.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_coeff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>dihedral_coeff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_style.html" class="btn btn-neutral float-right" title="dihedral_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dielectric.html" class="btn btn-neutral" title="dielectric command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -146,7 +289,6 @@ dihedral_coeff 2* 80.0 1 3 0.5
</div>
<div class="section" id="description">
<h2>Description</h2>
-<hr class="docutils" />
<p>Specify the dihedral force field coefficients for one or more dihedral types.
The number and meaning of the coefficients depends on the dihedral style.
Dihedral coefficients can also be set in the data file read by the
@@ -230,6 +372,15 @@ set, either in the input script or in a data file.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_style.html" class="btn btn-neutral float-right" title="dihedral_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dielectric.html" class="btn btn-neutral" title="dielectric command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_cosine_shift_exp.html b/doc/html/dihedral_cosine_shift_exp.html
index 1cc73331bee8b9a43ac8f8b46acf2aadf9d390ed..bd473878b9ce87cba519e25abe3ffdc7c2d5ab0e 100644
--- a/doc/html/dihedral_cosine_shift_exp.html
+++ b/doc/html/dihedral_cosine_shift_exp.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="dihedral_style fourier command" href="dihedral_fourier.html"/>
+ <link rel="prev" title="dihedral_style class2 command" href="dihedral_class2.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,96 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +203,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="dihedrals.html">Dihedral Styles</a> »</li>
+
<li>dihedral_style cosine/shift/exp command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +216,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_fourier.html" class="btn btn-neutral float-right" title="dihedral_style fourier command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_class2.html" class="btn btn-neutral" title="dihedral_style class2 command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -170,7 +275,7 @@ commands:</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -180,7 +285,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -203,6 +308,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_fourier.html" class="btn btn-neutral float-right" title="dihedral_style fourier command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_class2.html" class="btn btn-neutral" title="dihedral_style class2 command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_fourier.html b/doc/html/dihedral_fourier.html
index 1470ba7346aaaa047c3afe0dd12c8e3b52271038..44fc168c8eb344708e110006125b1a0ddbc1daff 100644
--- a/doc/html/dihedral_fourier.html
+++ b/doc/html/dihedral_fourier.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="dihedral_style harmonic command" href="dihedral_harmonic.html"/>
+ <link rel="prev" title="dihedral_style cosine/shift/exp command" href="dihedral_cosine_shift_exp.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,96 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +203,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="dihedrals.html">Dihedral Styles</a> »</li>
+
<li>dihedral_style fourier command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +216,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_harmonic.html" class="btn btn-neutral float-right" title="dihedral_style harmonic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_cosine_shift_exp.html" class="btn btn-neutral" title="dihedral_style cosine/shift/exp command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -155,7 +260,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<li>K1 (energy)</li>
<li>n1 (integer >= 0)</li>
<li>d1 (degrees)</li>
-<li></li>
+<li>[...]</li>
<li>Km (energy)</li>
<li>nm (integer >= 0)</li>
<li>dm (degrees)</li>
@@ -164,7 +269,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -174,7 +279,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -196,6 +301,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_harmonic.html" class="btn btn-neutral float-right" title="dihedral_style harmonic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_cosine_shift_exp.html" class="btn btn-neutral" title="dihedral_style cosine/shift/exp command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_harmonic.html b/doc/html/dihedral_harmonic.html
index 2a8ed8a6f78a14f744f49458e41fc133774a1b62..b147e2511b02b171d2558b9f6806dd084802fd84 100644
--- a/doc/html/dihedral_harmonic.html
+++ b/doc/html/dihedral_harmonic.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="dihedral_style helix command" href="dihedral_helix.html"/>
+ <link rel="prev" title="dihedral_style fourier command" href="dihedral_fourier.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,96 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +203,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="dihedrals.html">Dihedral Styles</a> »</li>
+
<li>dihedral_style harmonic command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +216,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_helix.html" class="btn btn-neutral float-right" title="dihedral_style helix command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_fourier.html" class="btn btn-neutral" title="dihedral_style fourier command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -176,7 +281,7 @@ in some force fields trans = 0 degrees.</li>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -186,7 +291,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -207,6 +312,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_helix.html" class="btn btn-neutral float-right" title="dihedral_style helix command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_fourier.html" class="btn btn-neutral" title="dihedral_style fourier command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_helix.html b/doc/html/dihedral_helix.html
index b8d5653099a74c3e21eb1b0129ff091883b60df1..f6307915d5ce2d2c83ed2fdcf42db3a5b0451dce 100644
--- a/doc/html/dihedral_helix.html
+++ b/doc/html/dihedral_helix.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="dihedral_style hybrid command" href="dihedral_hybrid.html"/>
+ <link rel="prev" title="dihedral_style harmonic command" href="dihedral_harmonic.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,96 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +203,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="dihedrals.html">Dihedral Styles</a> »</li>
+
<li>dihedral_style helix command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +216,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_hybrid.html" class="btn btn-neutral float-right" title="dihedral_style hybrid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_harmonic.html" class="btn btn-neutral" title="dihedral_style harmonic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -166,7 +271,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -176,7 +281,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -199,6 +304,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_hybrid.html" class="btn btn-neutral float-right" title="dihedral_style hybrid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_harmonic.html" class="btn btn-neutral" title="dihedral_style harmonic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_hybrid.html b/doc/html/dihedral_hybrid.html
index dc9383e3f279e0b3aaa3dffa86a8fe2c71dd5824..f7c4497e9a710ae877ac30ae9dd96e6a77ab13fe 100644
--- a/doc/html/dihedral_hybrid.html
+++ b/doc/html/dihedral_hybrid.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="dihedral_style multi/harmonic command" href="dihedral_multi_harmonic.html"/>
+ <link rel="prev" title="dihedral_style helix command" href="dihedral_helix.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,96 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style hybrid command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style hybrid command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +203,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="dihedrals.html">Dihedral Styles</a> »</li>
+
<li>dihedral_style hybrid command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +216,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_multi_harmonic.html" class="btn btn-neutral float-right" title="dihedral_style multi/harmonic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+ <a href="dihedral_helix.html" class="btn btn-neutral" title="dihedral_style helix command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -215,6 +320,15 @@ restart file, you need to re-specify dihedral_coeff commands.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_multi_harmonic.html" class="btn btn-neutral float-right" title="dihedral_style multi/harmonic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
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+ <a href="dihedral_helix.html" class="btn btn-neutral" title="dihedral_style helix command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_multi_harmonic.html b/doc/html/dihedral_multi_harmonic.html
index ec192b670e9215c00fca801e79bc47f4ed486f62..423fcc9943fd736572caf5b3fd459b11ecb8588e 100644
--- a/doc/html/dihedral_multi_harmonic.html
+++ b/doc/html/dihedral_multi_harmonic.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="dihedral_style nharmonic command" href="dihedral_nharmonic.html"/>
+ <link rel="prev" title="dihedral_style hybrid command" href="dihedral_hybrid.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,96 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +203,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="dihedrals.html">Dihedral Styles</a> »</li>
+
<li>dihedral_style multi/harmonic command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +216,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_nharmonic.html" class="btn btn-neutral float-right" title="dihedral_style nharmonic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_hybrid.html" class="btn btn-neutral" title="dihedral_style hybrid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -161,7 +266,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -171,7 +276,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -192,6 +297,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_nharmonic.html" class="btn btn-neutral float-right" title="dihedral_style nharmonic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_hybrid.html" class="btn btn-neutral" title="dihedral_style hybrid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_nharmonic.html b/doc/html/dihedral_nharmonic.html
index eb59b456276fdf55516d788ff68aad69cb5b2ee7..7938cc13f6ab72b278b6e4cbb39c62603f805358 100644
--- a/doc/html/dihedral_nharmonic.html
+++ b/doc/html/dihedral_nharmonic.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="dihedral_style none command" href="dihedral_none.html"/>
+ <link rel="prev" title="dihedral_style multi/harmonic command" href="dihedral_multi_harmonic.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,96 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +203,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="dihedrals.html">Dihedral Styles</a> »</li>
+
<li>dihedral_style nharmonic command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +216,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_none.html" class="btn btn-neutral float-right" title="dihedral_style none command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_multi_harmonic.html" class="btn btn-neutral" title="dihedral_style multi/harmonic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -161,7 +266,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -171,7 +276,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -193,6 +298,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_none.html" class="btn btn-neutral float-right" title="dihedral_style none command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_multi_harmonic.html" class="btn btn-neutral" title="dihedral_style multi/harmonic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_none.html b/doc/html/dihedral_none.html
index c30711154a0388bdc09d39274169c91f51817ebb..9d9aab82d253a1d3b597a2f5f6dd457f844f87dd 100644
--- a/doc/html/dihedral_none.html
+++ b/doc/html/dihedral_none.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="dihedral_style opls command" href="dihedral_opls.html"/>
+ <link rel="prev" title="dihedral_style nharmonic command" href="dihedral_nharmonic.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,96 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style none command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style none command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +203,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="dihedrals.html">Dihedral Styles</a> »</li>
+
<li>dihedral_style none command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +216,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_opls.html" class="btn btn-neutral float-right" title="dihedral_style opls command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_nharmonic.html" class="btn btn-neutral" title="dihedral_style nharmonic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -163,6 +268,15 @@ calculate dihedral statistics, but compute no dihedral interactions.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_opls.html" class="btn btn-neutral float-right" title="dihedral_style opls command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_nharmonic.html" class="btn btn-neutral" title="dihedral_style nharmonic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_opls.html b/doc/html/dihedral_opls.html
index fd7c9f1e4fda81bb878e660ff5456142c5f89897..7ba507a1ec6a565ee751a031b0ee08eec0499f91 100644
--- a/doc/html/dihedral_opls.html
+++ b/doc/html/dihedral_opls.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="dihedral_style quadratic command" href="dihedral_quadratic.html"/>
+ <link rel="prev" title="dihedral_style none command" href="dihedral_none.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,96 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +203,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="dihedrals.html">Dihedral Styles</a> »</li>
+
<li>dihedral_style opls command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +216,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_quadratic.html" class="btn btn-neutral float-right" title="dihedral_style quadratic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_none.html" class="btn btn-neutral" title="dihedral_style none command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -171,7 +276,7 @@ or <a class="reference internal" href="read_restart.html"><span class="doc">read
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -181,7 +286,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -204,6 +309,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_quadratic.html" class="btn btn-neutral float-right" title="dihedral_style quadratic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_none.html" class="btn btn-neutral" title="dihedral_style none command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_quadratic.html b/doc/html/dihedral_quadratic.html
index 3b490ae5d6029e2c9dd3141f33d53df80724f551..0f41521cd31bb3003b1cd3b75376ba3790ea5de7 100644
--- a/doc/html/dihedral_quadratic.html
+++ b/doc/html/dihedral_quadratic.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="dihedral_style spherical command" href="dihedral_spherical.html"/>
+ <link rel="prev" title="dihedral_style opls command" href="dihedral_opls.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,96 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +203,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="dihedrals.html">Dihedral Styles</a> »</li>
+
<li>dihedral_style quadratic command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +216,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_spherical.html" class="btn btn-neutral float-right" title="dihedral_style spherical command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_opls.html" class="btn btn-neutral" title="dihedral_style opls command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -161,7 +266,7 @@ commands:</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -171,7 +276,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -193,6 +298,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_spherical.html" class="btn btn-neutral float-right" title="dihedral_style spherical command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_opls.html" class="btn btn-neutral" title="dihedral_style opls command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_spherical.html b/doc/html/dihedral_spherical.html
index 3e38d2d8cac50214aa3bbf2fec81bf6de112cf36..d73ca0c804ed5da3b770c152a660ccb829577d64 100644
--- a/doc/html/dihedral_spherical.html
+++ b/doc/html/dihedral_spherical.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="dihedral_style table command" href="dihedral_table.html"/>
+ <link rel="prev" title="dihedral_style quadratic command" href="dihedral_quadratic.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,96 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style spherical command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style spherical command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +203,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="dihedrals.html">Dihedral Styles</a> »</li>
+
<li>dihedral_style spherical command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +216,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_table.html" class="btn btn-neutral float-right" title="dihedral_style table command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_quadratic.html" class="btn btn-neutral" title="dihedral_style quadratic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -178,7 +283,7 @@ the Dihedral Coeffs section of a data file file read by the
<li>M1 (typically an integer)</li>
<li>c1 (degrees, typically 0.0 or 90.0)</li>
<li>w1 (typically 0.0 or 1.0)</li>
-<li></li>
+<li>[...]</li>
<li>Cn (energy)</li>
<li>Kn (typically an integer)</li>
<li>an (degrees)</li>
@@ -210,6 +315,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_table.html" class="btn btn-neutral float-right" title="dihedral_style table command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_quadratic.html" class="btn btn-neutral" title="dihedral_style quadratic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_style.html b/doc/html/dihedral_style.html
index c19d4a1a2e559c6b1f9d37be7eadc51d34a9bd6d..57ff22e04ab0d4e856b90a10d54b5bf6e4dd8aa2 100644
--- a/doc/html/dihedral_style.html
+++ b/doc/html/dihedral_style.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="dimension command" href="dimension.html"/>
+ <link rel="prev" title="dihedral_coeff command" href="dihedral_coeff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>dihedral_style command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dimension.html" class="btn btn-neutral float-right" title="dimension command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_coeff.html" class="btn btn-neutral" title="dihedral_coeff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -237,6 +381,15 @@ a package.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dimension.html" class="btn btn-neutral float-right" title="dimension command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_coeff.html" class="btn btn-neutral" title="dihedral_coeff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_table.html b/doc/html/dihedral_table.html
index fe30f6ab115e6074564dc216baba73ef14313c33..b19e7eac92bd02b22c0b0d29651640b7425fe2e1 100644
--- a/doc/html/dihedral_table.html
+++ b/doc/html/dihedral_table.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="dihedral_style zero command" href="dihedral_zero.html"/>
+ <link rel="prev" title="dihedral_style spherical command" href="dihedral_spherical.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,96 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-table-omp-command">dihedral_style table/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-table-omp-command">dihedral_style table/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +203,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="dihedrals.html">Dihedral Styles</a> »</li>
+
<li>dihedral_style table command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +216,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_zero.html" class="btn btn-neutral float-right" title="dihedral_style zero command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_spherical.html" class="btn btn-neutral" title="dihedral_style spherical command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -285,7 +390,7 @@ that matches the specified keyword.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -295,7 +400,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-6"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<div class="section" id="restrictions">
@@ -316,6 +421,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_zero.html" class="btn btn-neutral float-right" title="dihedral_style zero command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_spherical.html" class="btn btn-neutral" title="dihedral_style spherical command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dihedral_zero.html b/doc/html/dihedral_zero.html
index 9ff190c60934ce8baac4c69b310a915108bdca9b..3f2adce0045c5e1bf5d44c341ed642de7b78d2f7 100644
--- a/doc/html/dihedral_zero.html
+++ b/doc/html/dihedral_zero.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Dihedral Styles" href="dihedrals.html"/>
+ <link rel="next" title="Improper Styles" href="impropers.html"/>
+ <link rel="prev" title="dihedral_style table command" href="dihedral_table.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,94 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style zero command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dihedral_style zero command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +201,8 @@
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+ <p class="caption"><span class="caption-text">User Documentation</span></p>
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+<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_tools.html">9. Additional tools</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying & extending LAMMPS</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
+</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1 current"><a class="current reference internal" href="#">Dihedral Styles</a><ul>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</li>
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+<h1>Dihedral Styles</h1>
+<div class="toctree-wrapper compound">
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html">dihedral_style charmm command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_cosine_shift_exp.html">dihedral_style cosine/shift/exp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_cosine_shift_exp.html#dihedral-style-cosine-shift-exp-omp-command">dihedral_style cosine/shift/exp/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_fourier.html">dihedral_style fourier command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_fourier.html#dihedral-style-fourier-omp-command">dihedral_style fourier/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_harmonic.html">dihedral_style harmonic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-intel-command">dihedral_style harmonic/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_harmonic.html#dihedral-style-harmonic-omp-command">dihedral_style harmonic/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_helix.html">dihedral_style helix command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_helix.html#dihedral-style-helix-omp-command">dihedral_style helix/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_hybrid.html">dihedral_style hybrid command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_multi_harmonic.html">dihedral_style multi/harmonic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_multi_harmonic.html#dihedral-style-multi-harmonic-omp-command">dihedral_style multi/harmonic/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_nharmonic.html">dihedral_style nharmonic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_nharmonic.html#dihedral-style-nharmonic-omp-command">dihedral_style nharmonic/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_none.html">dihedral_style none command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_opls.html">dihedral_style opls command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-intel-command">dihedral_style opls/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-kk-command">dihedral_style opls/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_opls.html#dihedral-style-opls-omp-command">dihedral_style opls/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_quadratic.html">dihedral_style quadratic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_quadratic.html#dihedral-style-quadratic-omp-command">dihedral_style quadratic/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_spherical.html">dihedral_style spherical command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_table.html">dihedral_style table command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_table.html#dihedral-style-table-omp-command">dihedral_style table/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_zero.html">dihedral_style zero command</a></li>
+</ul>
+</div>
+</div>
+
+
+ </div>
+ </div>
+ <footer>
+
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dihedral_charmm.html" class="btn btn-neutral float-right" title="dihedral_style charmm command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
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+ <a href="angle_zero.html" class="btn btn-neutral" title="angle_style zero command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
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+ </div>
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+ <hr/>
+
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+ <p>
+ © Copyright 2013 Sandia Corporation.
+ </p>
+ </div>
+ Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a <a href="https://github.com/snide/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>.
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\ No newline at end of file
diff --git a/doc/html/dimension.html b/doc/html/dimension.html
index bc1cb2efb1475aab7c3e216d54151c61730ea7b1..1b4a0505415e6c58aa3aa30a9ab05bdf767960f8 100644
--- a/doc/html/dimension.html
+++ b/doc/html/dimension.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="displace_atoms command" href="displace_atoms.html"/>
+ <link rel="prev" title="dihedral_style command" href="dihedral_style.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dimension command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>dimension command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="displace_atoms.html" class="btn btn-neutral float-right" title="displace_atoms command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_style.html" class="btn btn-neutral" title="dihedral_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -148,7 +292,7 @@ simulations. To run a 2d simulation, this command should be used
prior to setting up a simulation box via the
<a class="reference internal" href="create_box.html"><span class="doc">create_box</span></a> or <a class="reference internal" href="read_data.html"><span class="doc">read_data</span></a> commands.
Restart files also store this setting.</p>
-<p>See the discussion in <a class="reference internal" href="Section_howto.html"><span class="doc">Section_howto</span></a> for
+<p>See the discussion in <a class="reference internal" href="Section_howto.html"><span class="doc">Section 6</span></a> for
additional instructions on how to run 2d simulations.</p>
<div class="admonition note">
<p class="first admonition-title">Note</p>
@@ -180,6 +324,15 @@ meaning their moment of inertia will be the same as in 3d.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="displace_atoms.html" class="btn btn-neutral float-right" title="displace_atoms command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dihedral_style.html" class="btn btn-neutral" title="dihedral_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/displace_atoms.html b/doc/html/displace_atoms.html
index 968c7345cdf3b2f469f99610fa5dbf4f976c1906..01f6007d2c3a7ec19c1d1e5b6cf5e4bcec215025 100644
--- a/doc/html/displace_atoms.html
+++ b/doc/html/displace_atoms.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="dump command" href="dump.html"/>
+ <link rel="prev" title="dimension command" href="dimension.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">displace_atoms command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>displace_atoms command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dump.html" class="btn btn-neutral float-right" title="dump command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dimension.html" class="btn btn-neutral" title="dimension command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,10 +275,10 @@
<pre class="literal-block">
displace_atoms group-ID style args keyword value ...
</pre>
-<ul class="simple">
-<li>group-ID = ID of group of atoms to displace</li>
-<li>style = <em>move</em> or <em>ramp</em> or <em>random</em> or <em>rotate</em></li>
-</ul>
+<ul>
+<li><p class="first">group-ID = ID of group of atoms to displace</p>
+</li>
+<li><p class="first">style = <em>move</em> or <em>ramp</em> or <em>random</em> or <em>rotate</em></p>
<pre class="literal-block">
<em>move</em> args = delx dely delz
delx,dely,delz = distance to displace in each dimension (distance units)
@@ -152,13 +296,14 @@ displace_atoms group-ID style args keyword value ...
Rx,Ry,Rz = axis of rotation vector
theta = angle of rotation (degrees)
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
<pre class="literal-block">
keyword = <em>units</em>
value = <em>box</em> or <em>lattice</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -267,6 +412,15 @@ the z-axis are allowed.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dump.html" class="btn btn-neutral float-right" title="dump command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dimension.html" class="btn btn-neutral" title="dimension command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dump.html b/doc/html/dump.html
index d76697dbba58489aa821b3d51753516daad45ae0..8b2f7dc6d8e848ca53386761cd77bf83e1dd4bc3 100644
--- a/doc/html/dump.html
+++ b/doc/html/dump.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="dump custom/vtk command" href="dump_custom_vtk.html"/>
+ <link rel="prev" title="displace_atoms command" href="displace_atoms.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>dump command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dump_custom_vtk.html" class="btn btn-neutral float-right" title="dump custom/vtk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="displace_atoms.html" class="btn btn-neutral" title="displace_atoms command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -146,14 +290,18 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">dump</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">style</span> <span class="n">N</span> <span class="n">file</span> <span class="n">args</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID = user-assigned name for the dump</li>
-<li>group-ID = ID of the group of atoms to be dumped</li>
-<li>style = <em>atom</em> or <em>atom/gz</em> or <em>atom/mpiio</em> or <em>cfg</em> or <em>cfg/gz</em> or <em>cfg/mpiio</em> or <em>dcd</em> or <em>xtc</em> or <em>xyz</em> or <em>xyz/gz</em> or <em>xyz/mpiio</em> or <em>h5md</em> or <em>image</em> or <em>movie</em> or <em>molfile</em> or <em>local</em> or <em>custom</em> or <em>custom/gz</em> or <em>custom/mpiio</em></li>
-<li>N = dump every this many timesteps</li>
-<li>file = name of file to write dump info to</li>
-<li>args = list of arguments for a particular style</li>
-</ul>
+<ul>
+<li><p class="first">ID = user-assigned name for the dump</p>
+</li>
+<li><p class="first">group-ID = ID of the group of atoms to be dumped</p>
+</li>
+<li><p class="first">style = <em>atom</em> or <em>atom/gz</em> or <em>atom/mpiio</em> or <em>cfg</em> or <em>cfg/gz</em> or <em>cfg/mpiio</em> or <em>dcd</em> or <em>xtc</em> or <em>xyz</em> or <em>xyz/gz</em> or <em>xyz/mpiio</em> or <em>h5md</em> or <em>image</em> or <em>movie</em> or <em>molfile</em> or <em>local</em> or <em>custom</em> or <em>custom/gz</em> or <em>custom/mpiio</em></p>
+</li>
+<li><p class="first">N = dump every this many timesteps</p>
+</li>
+<li><p class="first">file = name of file to write dump info to</p>
+</li>
+<li><p class="first">args = list of arguments for a particular style</p>
<pre class="literal-block">
<em>atom</em> args = none
<em>atom/gz</em> args = none
@@ -198,13 +346,13 @@
<pre class="literal-block">
<em>custom</em> or <em>custom/gz</em> or <em>custom/mpiio</em> args = list of atom attributes
possible attributes = id, mol, proc, procp1, type, element, mass,
- x, y, z, xs, ys, zs, xu, yu, zu,
- xsu, ysu, zsu, ix, iy, iz,
- vx, vy, vz, fx, fy, fz,
+ x, y, z, xs, ys, zs, xu, yu, zu,
+ xsu, ysu, zsu, ix, iy, iz,
+ vx, vy, vz, fx, fy, fz,
q, mux, muy, muz, mu,
radius, diameter, omegax, omegay, omegaz,
- angmomx, angmomy, angmomz, tqx, tqy, tqz,
- c_ID, c_ID[N], f_ID, f_ID[N], v_name
+ angmomx, angmomy, angmomz, tqx, tqy, tqz,
+ c_ID, c_ID[N], f_ID, f_ID[N], v_name
</pre>
<pre class="literal-block">
id = atom ID
@@ -236,6 +384,8 @@ v_name = per-atom vector calculated by an atom-style variable with name
d_name = per-atom floating point vector with name, managed by fix property/atom
i_name = per-atom integer vector with name, managed by fix property/atom
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -705,7 +855,7 @@ dump file.</p>
<p>The <em>d_name</em> and <em>i_name</em> attributes allow to output custom per atom
floating point or integer properties that are managed by
<a class="reference internal" href="fix_property_atom.html"><span class="doc">fix property/atom</span></a>.</p>
-<p>See <a class="reference internal" href="Section_modify.html"><span class="doc">Section_modify</span></a> of the manual for information
+<p>See <a class="reference internal" href="Section_modify.html"><span class="doc">Section 10</span></a> of the manual for information
on how to add new compute and fix styles to LAMMPS to calculate
per-atom quantities which could then be output into dump files.</p>
</div>
@@ -756,6 +906,15 @@ machines.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dump_custom_vtk.html" class="btn btn-neutral float-right" title="dump custom/vtk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="displace_atoms.html" class="btn btn-neutral" title="displace_atoms command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dump_custom_vtk.html b/doc/html/dump_custom_vtk.html
index b77890476af621462ba28ab37654acc550861e62..8bfa475ec2ceb56f5831fcff50baa94b04a0007a 100644
--- a/doc/html/dump_custom_vtk.html
+++ b/doc/html/dump_custom_vtk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="dump h5md command" href="dump_h5md.html"/>
+ <link rel="prev" title="dump command" href="dump.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dump custom/vtk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>dump custom/vtk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dump_h5md.html" class="btn btn-neutral float-right" title="dump h5md command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dump.html" class="btn btn-neutral" title="dump command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,25 +275,29 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">dump</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">style</span> <span class="n">N</span> <span class="n">file</span> <span class="n">args</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID = user-assigned name for the dump</li>
-<li>group-ID = ID of the group of atoms to be dumped</li>
-<li>style = <em>custom/vtk</em></li>
-<li>N = dump every this many timesteps</li>
-<li>file = name of file to write dump info to</li>
-<li>args = list of arguments for a particular style</li>
-</ul>
+<ul>
+<li><p class="first">ID = user-assigned name for the dump</p>
+</li>
+<li><p class="first">group-ID = ID of the group of atoms to be dumped</p>
+</li>
+<li><p class="first">style = <em>custom/vtk</em></p>
+</li>
+<li><p class="first">N = dump every this many timesteps</p>
+</li>
+<li><p class="first">file = name of file to write dump info to</p>
+</li>
+<li><p class="first">args = list of arguments for a particular style</p>
<pre class="literal-block">
<em>custom/vtk</em> args = list of atom attributes
possible attributes = id, mol, proc, procp1, type, element, mass,
- x, y, z, xs, ys, zs, xu, yu, zu,
- xsu, ysu, zsu, ix, iy, iz,
- vx, vy, vz, fx, fy, fz,
+ x, y, z, xs, ys, zs, xu, yu, zu,
+ xsu, ysu, zsu, ix, iy, iz,
+ vx, vy, vz, fx, fy, fz,
q, mux, muy, muz, mu,
radius, diameter, omegax, omegay, omegaz,
- angmomx, angmomy, angmomz, tqx, tqy, tqz,
- spin, eradius, ervel, erforce,
- c_ID, c_ID[N], f_ID, f_ID[N], v_name
+ angmomx, angmomy, angmomz, tqx, tqy, tqz,
+ spin, eradius, ervel, erforce,
+ c_ID, c_ID[N], f_ID, f_ID[N], v_name
</pre>
<pre class="literal-block">
id = atom ID
@@ -179,6 +327,8 @@ f_ID = per-atom vector calculated by a fix with ID
f_ID[N] = Nth column of per-atom array calculated by a fix with ID
v_name = per-atom vector calculated by an atom-style variable with name
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -392,7 +542,7 @@ attributes, per-atom atom attributes, thermodynamic keywords, or
invoke other computes, fixes, or variables when they are evaluated, so
this is a very general means of creating quantities to output to a
dump file.</p>
-<p>See <a class="reference internal" href="Section_modify.html"><span class="doc">Section_modify</span></a> of the manual for information
+<p>See <a class="reference internal" href="Section_modify.html"><span class="doc">Section 10</span></a> of the manual for information
on how to add new compute and fix styles to LAMMPS to calculate
per-atom quantities which could then be output into dump files.</p>
</div>
@@ -425,6 +575,15 @@ is not one of .vtk, .vtp or .vtu, the legacy VTK file format is used.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dump_h5md.html" class="btn btn-neutral float-right" title="dump h5md command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+ <a href="dump.html" class="btn btn-neutral" title="dump command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dump_h5md.html b/doc/html/dump_h5md.html
index e883ea5695f28afbec390d63f94390c880e26407..39b13f57c37c9a16466dc67efe728dfa9deb5b1b 100644
--- a/doc/html/dump_h5md.html
+++ b/doc/html/dump_h5md.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="dump image command" href="dump_image.html"/>
+ <link rel="prev" title="dump custom/vtk command" href="dump_custom_vtk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dump h5md command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>dump h5md command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dump_image.html" class="btn btn-neutral float-right" title="dump image command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dump_custom_vtk.html" class="btn btn-neutral" title="dump custom/vtk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,16 +274,20 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">dump</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">h5md</span> <span class="n">N</span> <span class="n">file</span><span class="o">.</span><span class="n">h5</span> <span class="n">args</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID = user-assigned name for the dump</li>
-<li>group-ID = ID of the group of atoms to be imaged</li>
-<li>h5md = style of dump command (other styles <em>atom</em> or <em>cfg</em> or <em>dcd</em> or <em>xtc</em> or <em>xyz</em> or <em>local</em> or <em>custom</em> are discussed on the <a class="reference internal" href="dump.html"><span class="doc">dump</span></a> doc page)</li>
-<li>N = dump every this many timesteps</li>
-<li>file.h5 = name of file to write to</li>
-<li>args = list of data elements to dump, with their dump “subintervals”.
+<ul>
+<li><p class="first">ID = user-assigned name for the dump</p>
+</li>
+<li><p class="first">group-ID = ID of the group of atoms to be imaged</p>
+</li>
+<li><p class="first">h5md = style of dump command (other styles <em>atom</em> or <em>cfg</em> or <em>dcd</em> or <em>xtc</em> or <em>xyz</em> or <em>local</em> or <em>custom</em> are discussed on the <a class="reference internal" href="dump.html"><span class="doc">dump</span></a> doc page)</p>
+</li>
+<li><p class="first">N = dump every this many timesteps</p>
+</li>
+<li><p class="first">file.h5 = name of file to write to</p>
+</li>
+<li><p class="first">args = list of data elements to dump, with their dump “subintervals”.
At least one element must be given and image may only be present if
-position is specified first.</li>
-</ul>
+position is specified first.</p>
<pre class="literal-block">
position options
image
@@ -160,6 +307,8 @@ specified by the option</p>
every N_element
</pre>
<p>that follows directly the element declaration.</p>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -238,6 +387,15 @@ Comp. Phys. Comm. 185(6), 1546-1553 (2014) -
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dump_image.html" class="btn btn-neutral float-right" title="dump image command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dump_custom_vtk.html" class="btn btn-neutral" title="dump custom/vtk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dump_image.html b/doc/html/dump_image.html
index 356893b5d44a4e4df824c5c524299b0100ed4d9e..076dcfa7bb70ae74d6655192335c314d02ea1e6c 100644
--- a/doc/html/dump_image.html
+++ b/doc/html/dump_image.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="dump_modify command" href="dump_modify.html"/>
+ <link rel="prev" title="dump h5md command" href="dump_h5md.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#dump-movie-command">dump movie command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>dump image command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dump_modify.html" class="btn btn-neutral float-right" title="dump_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dump_h5md.html" class="btn btn-neutral" title="dump h5md command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -134,17 +278,24 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">dump</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">style</span> <span class="n">N</span> <span class="n">file</span> <span class="n">color</span> <span class="n">diameter</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID = user-assigned name for the dump</li>
-<li>group-ID = ID of the group of atoms to be imaged</li>
-<li>style = <em>image</em> or <em>movie</em> = style of dump command (other styles <em>atom</em> or <em>cfg</em> or <em>dcd</em> or <em>xtc</em> or <em>xyz</em> or <em>local</em> or <em>custom</em> are discussed on the <a class="reference internal" href="dump.html"><span class="doc">dump</span></a> doc page)</li>
-<li>N = dump every this many timesteps</li>
-<li>file = name of file to write image to</li>
-<li>color = atom attribute that determines color of each atom</li>
-<li>diameter = atom attribute that determines size of each atom</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>atom</em> or <em>adiam</em> or <em>bond</em> or <em>line</em> or <em>tri</em> or <em>body</em> or <em>fix</em> or <em>size</em> or <em>view</em> or <em>center</em> or <em>up</em> or <em>zoom</em> or <em>persp</em> or <em>box</em> or <em>axes</em> or <em>subbox</em> or <em>shiny</em> or <em>ssao</em></li>
-</ul>
+<ul>
+<li><p class="first">ID = user-assigned name for the dump</p>
+</li>
+<li><p class="first">group-ID = ID of the group of atoms to be imaged</p>
+</li>
+<li><p class="first">style = <em>image</em> or <em>movie</em> = style of dump command (other styles <em>atom</em> or <em>cfg</em> or <em>dcd</em> or <em>xtc</em> or <em>xyz</em> or <em>local</em> or <em>custom</em> are discussed on the <a class="reference internal" href="dump.html"><span class="doc">dump</span></a> doc page)</p>
+</li>
+<li><p class="first">N = dump every this many timesteps</p>
+</li>
+<li><p class="first">file = name of file to write image to</p>
+</li>
+<li><p class="first">color = atom attribute that determines color of each atom</p>
+</li>
+<li><p class="first">diameter = atom attribute that determines size of each atom</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>atom</em> or <em>adiam</em> or <em>bond</em> or <em>line</em> or <em>tri</em> or <em>body</em> or <em>fix</em> or <em>size</em> or <em>view</em> or <em>center</em> or <em>up</em> or <em>zoom</em> or <em>persp</em> or <em>box</em> or <em>axes</em> or <em>subbox</em> or <em>shiny</em> or <em>ssao</em></p>
<pre class="literal-block">
<em>atom</em> = yes/no = do or do not draw atoms
<em>adiam</em> size = numeric value for atom diameter (distance units)
@@ -203,6 +354,8 @@
seed = random # seed (positive integer)
dfactor = strength of shading from 0.0 to 1.0
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -613,12 +766,10 @@ compiled with -DLAMMPS_FFMPEG and an FFmpeg executable have to be
installed.</p>
<p>To manually convert JPEG, PNG or PPM files into an animated GIF or
MPEG or other movie file you can use:</p>
-<ul class="simple">
-<li><ol class="first loweralpha">
+<ul>
+<li><ol class="first loweralpha simple">
<li>Use the ImageMagick convert program.</li>
</ol>
-</li>
-</ul>
<pre class="literal-block">
% convert *.jpg foo.gif
% convert -loop 1 *.ppm foo.mpg
@@ -627,12 +778,10 @@ MPEG or other movie file you can use:</p>
program like gifsicle to optimize and massively shrink them.
MPEG files created by ImageMagick are in MPEG-1 format with rather
inefficient compression and low quality.</p>
-<ul class="simple">
-<li><ol class="first loweralpha" start="2">
+</li>
+<li><ol class="first loweralpha simple" start="2">
<li>Use QuickTime.</li>
</ol>
-</li>
-</ul>
<p>Select “Open Image Sequence” under the File menu Load the images into
QuickTime to animate them Select “Export” under the File menu Save the
movie as a QuickTime movie (*.mov) or in another format. QuickTime
@@ -640,12 +789,10 @@ can generate very high quality and efficiently compressed movie
files. Some of the supported formats require to buy a license and some
are not readable on all platforms until specific runtime libraries are
installed.</p>
-<ul class="simple">
-<li><ol class="first loweralpha" start="3">
+</li>
+<li><ol class="first loweralpha simple" start="3">
<li>Use FFmpeg</li>
</ol>
-</li>
-</ul>
<p>FFmpeg is a command line tool that is available on many platforms and
allows extremely flexible encoding and decoding of movies.</p>
<pre class="literal-block">
@@ -654,43 +801,42 @@ cat snap.*.ppm | ffmpeg -y -f image2pipe -c:v ppm -i - -b:v 2400k movie.avi
</pre>
<p>Frontends for FFmpeg exist for multiple platforms. For more
information see the <a class="reference external" href="http://www.ffmpeg.org/">FFmpeg homepage</a></p>
+</li>
+</ul>
<hr class="docutils" />
<p>Play the movie:</p>
-<ul class="simple">
-<li><ol class="first loweralpha">
+<ul>
+<li><ol class="first loweralpha simple">
<li>Use your browser to view an animated GIF movie.</li>
</ol>
-</li>
-</ul>
<p>Select “Open File” under the File menu
Load the animated GIF file</p>
-<ul class="simple">
-<li>b) Use the freely available mplayer or ffplay tool to view a
+</li>
+<li><p class="first">b) Use the freely available mplayer or ffplay tool to view a
movie. Both are available for multiple OSes and support a large
-variety of file formats and decoders.</li>
-</ul>
+variety of file formats and decoders.</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="o">%</span> <span class="n">mplayer</span> <span class="n">foo</span><span class="o">.</span><span class="n">mpg</span>
<span class="o">%</span> <span class="n">ffplay</span> <span class="n">bar</span><span class="o">.</span><span class="n">avi</span>
</pre></div>
</div>
-<ul class="simple">
-<li>c) Use the <a class="reference external" href="http://www.sandia.gov/~sjplimp/pizza.html">Pizza.py</a>
+</li>
+<li><p class="first">c) Use the <a class="reference external" href="http://www.sandia.gov/~sjplimp/pizza.html">Pizza.py</a>
<a class="reference external" href="http://www.sandia.gov/~sjplimp/pizza/doc/animate.html">animate tool</a>,
-which works directly on a series of image files.</li>
-</ul>
+which works directly on a series of image files.</p>
<pre class="literal-block">
a = animate("foo*.jpg")
</pre>
-<ul class="simple">
-<li>d) QuickTime and other Windows- or MacOS-based media players can
+</li>
+<li><p class="first">d) QuickTime and other Windows- or MacOS-based media players can
obviously play movie files directly. Similarly for corresponding tools
bundled with Linux desktop environments. However, due to licensing
issues with some file formats, the formats may require installing
additional libraries, purchasing a license, or may not be
-supported.</li>
+supported.</p>
+</li>
</ul>
<hr class="docutils" />
-<p>See <a class="reference internal" href="Section_modify.html"><span class="doc">Section_modify</span></a> of the manual for information
+<p>See <a class="reference internal" href="Section_modify.html"><span class="doc">Section 10</span></a> of the manual for information
on how to add new compute and fix styles to LAMMPS to calculate
per-atom quantities which could then be output into dump files.</p>
</div>
@@ -765,6 +911,15 @@ mp4).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dump_modify.html" class="btn btn-neutral float-right" title="dump_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dump_h5md.html" class="btn btn-neutral" title="dump h5md command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dump_modify.html b/doc/html/dump_modify.html
index 08afa5c7c63bc03852c8ac278385e87f2c683d06..5d0e38e7f5d1df8162bee64b160ee494c406e266 100644
--- a/doc/html/dump_modify.html
+++ b/doc/html/dump_modify.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="dump molfile command" href="dump_molfile.html"/>
+ <link rel="prev" title="dump image command" href="dump_image.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dump_modify command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>dump_modify command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="dump_molfile.html" class="btn btn-neutral float-right" title="dump molfile command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dump_image.html" class="btn btn-neutral" title="dump image command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +275,14 @@
<pre class="literal-block">
dump_modify dump-ID keyword values ...
</pre>
-<ul class="simple">
-<li>dump-ID = ID of dump to modify</li>
-<li>one or more keyword/value pairs may be appended</li>
-<li>these keywords apply to various dump styles</li>
-<li>keyword = <em>append</em> or <em>buffer</em> or <em>element</em> or <em>every</em> or <em>fileper</em> or <em>first</em> or <em>flush</em> or <em>format</em> or <em>image</em> or <em>label</em> or <em>nfile</em> or <em>pad</em> or <em>precision</em> or <em>region</em> or <em>scale</em> or <em>sort</em> or <em>thresh</em> or <em>unwrap</em></li>
-</ul>
+<ul>
+<li><p class="first">dump-ID = ID of dump to modify</p>
+</li>
+<li><p class="first">one or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">these keywords apply to various dump styles</p>
+</li>
+<li><p class="first">keyword = <em>append</em> or <em>buffer</em> or <em>element</em> or <em>every</em> or <em>fileper</em> or <em>first</em> or <em>flush</em> or <em>format</em> or <em>image</em> or <em>label</em> or <em>nfile</em> or <em>pad</em> or <em>precision</em> or <em>region</em> or <em>scale</em> or <em>sort</em> or <em>thresh</em> or <em>unwrap</em></p>
<pre class="literal-block">
<em>append</em> arg = <em>yes</em> or <em>no</em>
<em>buffer</em> arg = <em>yes</em> or <em>no</em>
@@ -176,10 +322,10 @@ dump_modify dump-ID keyword values ...
these 3 args can be replaced by the word "none" to turn off thresholding
<em>unwrap</em> arg = <em>yes</em> or <em>no</em>
</pre>
-<ul class="simple">
-<li>these keywords apply only to the <em>image</em> and <em>movie</em> <a class="reference internal" href="dump_image.html"><span class="doc">styles</span></a></li>
-<li>keyword = <em>acolor</em> or <em>adiam</em> or <em>amap</em> or <em>backcolor</em> or <em>bcolor</em> or <em>bdiam</em> or <em>boxcolor</em> or <em>color</em> or <em>bitrate</em> or <em>framerate</em></li>
-</ul>
+</li>
+<li><p class="first">these keywords apply only to the <em>image</em> and <em>movie</em> <a class="reference internal" href="dump_image.html"><span class="doc">styles</span></a></p>
+</li>
+<li><p class="first">keyword = <em>acolor</em> or <em>adiam</em> or <em>amap</em> or <em>backcolor</em> or <em>bcolor</em> or <em>bdiam</em> or <em>boxcolor</em> or <em>color</em> or <em>bitrate</em> or <em>framerate</em></p>
<pre class="literal-block">
<em>acolor</em> args = type color
type = atom type or range of types (see below)
@@ -225,6 +371,8 @@ dump_modify dump-ID keyword values ...
<em>framerate</em> arg = fps
fps = frames per second for movie
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -1030,6 +1178,15 @@ Divide each value by 255 to get the equivalent 0.0 to 1.0 value.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="dump_molfile.html" class="btn btn-neutral float-right" title="dump molfile command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dump_image.html" class="btn btn-neutral" title="dump image command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/dump_molfile.html b/doc/html/dump_molfile.html
index 60ee56baf7c55fb28c78d6998d13edbcefeccbd1..2788127882ee4f77f6debe994f8624437cc47634 100644
--- a/doc/html/dump_molfile.html
+++ b/doc/html/dump_molfile.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="echo command" href="echo.html"/>
+ <link rel="prev" title="dump_modify command" href="dump_modify.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">dump molfile command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>dump molfile command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="echo.html" class="btn btn-neutral float-right" title="echo command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dump_modify.html" class="btn btn-neutral" title="dump_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -244,6 +388,15 @@ with a set of header files that are compatible with VMD 1.9 and 1.9.1
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="echo.html" class="btn btn-neutral float-right" title="echo command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+ <a href="dump_modify.html" class="btn btn-neutral" title="dump_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/echo.html b/doc/html/echo.html
index 14ea755e939b71cb2932b38089d5ce9413a0c870..447d25db0531b06590ac2e93be38671aa50af3b2 100644
--- a/doc/html/echo.html
+++ b/doc/html/echo.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="fix command" href="fix.html"/>
+ <link rel="prev" title="dump molfile command" href="dump_molfile.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">echo command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>echo command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix.html" class="btn btn-neutral float-right" title="fix command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dump_molfile.html" class="btn btn-neutral" title="dump molfile command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -170,6 +313,15 @@ in place of this command.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix.html" class="btn btn-neutral float-right" title="fix command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="dump_molfile.html" class="btn btn-neutral" title="dump molfile command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix.html b/doc/html/fix.html
index cc8435af4778c4dc3b26239d022f5e93230b8432..9608faed37232a17d86d895d90b5623fb0f22885 100644
--- a/doc/html/fix.html
+++ b/doc/html/fix.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="fix_modify command" href="fix_modify.html"/>
+ <link rel="prev" title="echo command" href="echo.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>fix command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_modify.html" class="btn btn-neutral float-right" title="fix_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="echo.html" class="btn btn-neutral" title="echo command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -404,6 +547,15 @@ The doc pages for individual fixes tell if it is part of a package.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_modify.html" class="btn btn-neutral float-right" title="fix_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="echo.html" class="btn btn-neutral" title="echo command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_adapt.html b/doc/html/fix_adapt.html
index 45eee9b4af74c61aaa06a8e3d48280d73c2e09e9..7174519e402de43ec97275d68f1d6aabad29ca35 100644
--- a/doc/html/fix_adapt.html
+++ b/doc/html/fix_adapt.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix adapt/fep command" href="fix_adapt_fep.html"/>
+ <link rel="prev" title="Fixes" href="fixes.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix adapt command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix adapt command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_adapt_fep.html" class="btn btn-neutral float-right" title="fix adapt/fep command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fixes.html" class="btn btn-neutral" title="Fixes" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,13 +372,16 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">adapt</span> <span class="n">N</span> <span class="n">attribute</span> <span class="n">args</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>adapt = style name of this fix command</li>
-<li>N = adapt simulation settings every this many timesteps</li>
-<li>one or more attribute/arg pairs may be appended</li>
-<li>attribute = <em>pair</em> or <em>kspace</em> or <em>atom</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">adapt = style name of this fix command</p>
+</li>
+<li><p class="first">N = adapt simulation settings every this many timesteps</p>
+</li>
+<li><p class="first">one or more attribute/arg pairs may be appended</p>
+</li>
+<li><p class="first">attribute = <em>pair</em> or <em>kspace</em> or <em>atom</em></p>
<pre class="literal-block">
<em>pair</em> args = pstyle pparam I J v_name
pstyle = pair style name, e.g. lj/cut
@@ -150,10 +394,10 @@
aparam = parameter to adapt over time
v_name = variable with name that calculates value of aparam
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>scale</em> or <em>reset</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>scale</em> or <em>reset</em></p>
<pre class="literal-block">
<em>scale</em> value = <em>no</em> or <em>yes</em>
<em>no</em> = the variable value is the new setting
@@ -162,6 +406,8 @@
<em>no</em> = values will remain altered at the end of a run
<em>yes</em> = reset altered values to their original values at the end of a run
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -418,6 +664,15 @@ parameters on the outermost rRESPA level.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_adapt_fep.html" class="btn btn-neutral float-right" title="fix adapt/fep command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fixes.html" class="btn btn-neutral" title="Fixes" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_adapt_fep.html b/doc/html/fix_adapt_fep.html
index 908ef5b3958d9e25e7bfcb7356870e6debc2e47d..376d5805369349a904ef2de1b0b563231e2b4425 100644
--- a/doc/html/fix_adapt_fep.html
+++ b/doc/html/fix_adapt_fep.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix addforce command" href="fix_addforce.html"/>
+ <link rel="prev" title="fix adapt command" href="fix_adapt.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix adapt/fep command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix adapt/fep command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_addforce.html" class="btn btn-neutral float-right" title="fix addforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_adapt.html" class="btn btn-neutral" title="fix adapt command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,13 +372,16 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">adapt</span><span class="o">/</span><span class="n">fep</span> <span class="n">N</span> <span class="n">attribute</span> <span class="n">args</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>adapt/fep = style name of this fix command</li>
-<li>N = adapt simulation settings every this many timesteps</li>
-<li>one or more attribute/arg pairs may be appended</li>
-<li>attribute = <em>pair</em> or <em>kspace</em> or <em>atom</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">adapt/fep = style name of this fix command</p>
+</li>
+<li><p class="first">N = adapt simulation settings every this many timesteps</p>
+</li>
+<li><p class="first">one or more attribute/arg pairs may be appended</p>
+</li>
+<li><p class="first">attribute = <em>pair</em> or <em>kspace</em> or <em>atom</em></p>
<pre class="literal-block">
<em>pair</em> args = pstyle pparam I J v_name
pstyle = pair style name, e.g. lj/cut
@@ -151,10 +395,10 @@
I = type(s) to set parameter for
v_name = variable with name that calculates value of aparam
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>scale</em> or <em>reset</em> or <em>after</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>scale</em> or <em>reset</em> or <em>after</em></p>
<pre class="literal-block">
<em>scale</em> value = <em>no</em> or <em>yes</em>
<em>no</em> = the variable value is the new setting
@@ -167,6 +411,8 @@
<em>no</em> = parameters are adapted at timestep N
<em>yes</em> = parameters are adapted one timestep after N
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -403,6 +649,15 @@ This fix is not invoked during <a class="reference internal" href="minimize.html
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_addforce.html" class="btn btn-neutral float-right" title="fix addforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_adapt.html" class="btn btn-neutral" title="fix adapt command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_addforce.html b/doc/html/fix_addforce.html
index 68b8540f51d9254d1c8582b0cf688d37bc86ed5f..9dfc31199e10c05cff9965ad786237f4c9e9085c 100644
--- a/doc/html/fix_addforce.html
+++ b/doc/html/fix_addforce.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix addtorque command" href="fix_addtorque.html"/>
+ <link rel="prev" title="fix adapt/fep command" href="fix_adapt_fep.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix addforce command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix addforce command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_addtorque.html" class="btn btn-neutral float-right" title="fix addtorque command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_adapt_fep.html" class="btn btn-neutral" title="fix adapt/fep command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,18 +372,19 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">addforce</span> <span class="n">fx</span> <span class="n">fy</span> <span class="n">fz</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>addforce = style name of this fix command</li>
-<li>fx,fy,fz = force component values (force units)</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">addforce = style name of this fix command</p>
+</li>
+<li><p class="first">fx,fy,fz = force component values (force units)</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="nb">any</span> <span class="n">of</span> <span class="n">fx</span><span class="p">,</span><span class="n">fy</span><span class="p">,</span><span class="n">fz</span> <span class="n">can</span> <span class="n">be</span> <span class="n">a</span> <span class="n">variable</span> <span class="p">(</span><span class="n">see</span> <span class="n">below</span><span class="p">)</span>
</pre></div>
</div>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended to args</li>
-<li>keyword = <em>every</em> or <em>region</em> or <em>energy</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended to args</p>
+</li>
+<li><p class="first">keyword = <em>every</em> or <em>region</em> or <em>energy</em></p>
<pre class="literal-block">
<em>every</em> value = Nevery
Nevery = add force every this many timesteps
@@ -151,6 +393,8 @@
<em>energy</em> value = v_name
v_name = variable with name that calculates the potential energy of each atom in the added force field
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -221,7 +465,7 @@ converge properly.</p>
<p>Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
-<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual. The
+<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual. The
accelerated styles take the same arguments and should produce the same
results, except for round-off and precision issues.</p>
<p>These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
@@ -230,7 +474,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -286,6 +530,15 @@ system (the quantity being minimized), you MUST enable the
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_addtorque.html" class="btn btn-neutral float-right" title="fix addtorque command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_adapt_fep.html" class="btn btn-neutral" title="fix adapt/fep command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_addtorque.html b/doc/html/fix_addtorque.html
index 2cc2a8b678105fc728551e1ed5dfcdaabb1ca76c..49432050dd380987b7e762c61759c8aa9677bc48 100644
--- a/doc/html/fix_addtorque.html
+++ b/doc/html/fix_addtorque.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix append/atoms command" href="fix_append_atoms.html"/>
+ <link rel="prev" title="fix addforce command" href="fix_addforce.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix addtorque command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix addtorque command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_append_atoms.html" class="btn btn-neutral float-right" title="fix append/atoms command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_addforce.html" class="btn btn-neutral" title="fix addforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -210,6 +450,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_append_atoms.html" class="btn btn-neutral float-right" title="fix append/atoms command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_addforce.html" class="btn btn-neutral" title="fix addforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_append_atoms.html b/doc/html/fix_append_atoms.html
index c15d2330aa1b0adafc3c5a30f6910e960059ff8b..49dd7ca8cdffbeed9fe35c0d421234d531a973ae 100644
--- a/doc/html/fix_append_atoms.html
+++ b/doc/html/fix_append_atoms.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix atc command" href="fix_atc.html"/>
+ <link rel="prev" title="fix addtorque command" href="fix_addtorque.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix append/atoms command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix append/atoms command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_atc.html" class="btn btn-neutral float-right" title="fix atc command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_addtorque.html" class="btn btn-neutral" title="fix addtorque command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,13 +372,16 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">append</span><span class="o">/</span><span class="n">atoms</span> <span class="n">face</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>append/atoms = style name of this fix command</li>
-<li>face = <em>zhi</em></li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>basis</em> or <em>size</em> or <em>freq</em> or <em>temp</em> or <em>random</em> or <em>units</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">append/atoms = style name of this fix command</p>
+</li>
+<li><p class="first">face = <em>zhi</em></p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>basis</em> or <em>size</em> or <em>freq</em> or <em>temp</em> or <em>random</em> or <em>units</em></p>
<pre class="literal-block">
<em>basis</em> values = M itype
M = which basis atom
@@ -158,6 +402,8 @@
<em>lattice</em> = the wall position is defined in lattice units
<em>box</em> = the wall position is defined in simulation box units
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -229,6 +475,15 @@ added atoms are of type 1 unless the basis keyword is used.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_atc.html" class="btn btn-neutral float-right" title="fix atc command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_addtorque.html" class="btn btn-neutral" title="fix addtorque command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_atc.html b/doc/html/fix_atc.html
index d295f3cc189b6f653ccd3d5d5148de13ec681fa1..60e7f9add8253ab3c4a9dcff06d7d0ee3586b34b 100644
--- a/doc/html/fix_atc.html
+++ b/doc/html/fix_atc.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix atom/swap command" href="fix_atom_swap.html"/>
+ <link rel="prev" title="fix append/atoms command" href="fix_append_atoms.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix atc command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix atc command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_atom_swap.html" class="btn btn-neutral float-right" title="fix atom/swap command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_append_atoms.html" class="btn btn-neutral" title="fix append/atoms command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -372,6 +613,15 @@ fix_modify AtC output nvtFE 100 text
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_atom_swap.html" class="btn btn-neutral float-right" title="fix atom/swap command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_append_atoms.html" class="btn btn-neutral" title="fix append/atoms command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_atom_swap.html b/doc/html/fix_atom_swap.html
index a56f3b4f8b0e6dce1ccb390cb3b3bc429e88e6dd..c4dbc7ad8022b1881be4d0a73acc83211a0fe2d5 100644
--- a/doc/html/fix_atom_swap.html
+++ b/doc/html/fix_atom_swap.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix ave/atom command" href="fix_ave_atom.html"/>
+ <link rel="prev" title="fix atc command" href="fix_atc.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix atom/swap command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix atom/swap command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ave_atom.html" class="btn btn-neutral float-right" title="fix ave/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_atc.html" class="btn btn-neutral" title="fix atc command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,16 +372,22 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">atom</span><span class="o">/</span><span class="n">swap</span> <span class="n">N</span> <span class="n">X</span> <span class="n">seed</span> <span class="n">T</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>atom/swap = style name of this fix command</li>
-<li>N = invoke this fix every N steps</li>
-<li>X = number of swaps to attempt every N steps</li>
-<li>seed = random # seed (positive integer)</li>
-<li>T = scaling temperature of the MC swaps (temperature units)</li>
-<li>one or more keyword/value pairs may be appended to args</li>
-<li>keyword = <em>types</em> or <em>mu</em> or <em>ke</em> or <em>semi-grand</em> or <em>region</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">atom/swap = style name of this fix command</p>
+</li>
+<li><p class="first">N = invoke this fix every N steps</p>
+</li>
+<li><p class="first">X = number of swaps to attempt every N steps</p>
+</li>
+<li><p class="first">seed = random # seed (positive integer)</p>
+</li>
+<li><p class="first">T = scaling temperature of the MC swaps (temperature units)</p>
+</li>
+<li><p class="first">one or more keyword/value pairs may be appended to args</p>
+</li>
+<li><p class="first">keyword = <em>types</em> or <em>mu</em> or <em>ke</em> or <em>semi-grand</em> or <em>region</em></p>
<pre class="literal-block">
<em>types</em> values = two or more atom types
<em>mu</em> values = chemical potential of swap types (energy units)
@@ -153,6 +400,8 @@
<em>region</em> value = region-ID
region-ID = ID of region to use as an exchange/move volume
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -295,6 +544,15 @@ L Zepeda-Ruiz, Phys. Rev. B, 85, 184203 (2012).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ave_atom.html" class="btn btn-neutral float-right" title="fix ave/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_atc.html" class="btn btn-neutral" title="fix atc command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_ave_atom.html b/doc/html/fix_ave_atom.html
index 72641a500634f0473d2ef51c346619bb03e35deb..4f81f5a6a7aa682376d361929cfe260407a9a99f 100644
--- a/doc/html/fix_ave_atom.html
+++ b/doc/html/fix_ave_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix ave/chunk command" href="fix_ave_chunk.html"/>
+ <link rel="prev" title="fix atom/swap command" href="fix_atom_swap.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix ave/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix ave/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ave_chunk.html" class="btn btn-neutral float-right" title="fix ave/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_atom_swap.html" class="btn btn-neutral" title="fix atom/swap command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,15 +371,19 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">ave</span><span class="o">/</span><span class="n">atom</span> <span class="n">Nevery</span> <span class="n">Nrepeat</span> <span class="n">Nfreq</span> <span class="n">value1</span> <span class="n">value2</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>ave/atom = style name of this fix command</li>
-<li>Nevery = use input values every this many timesteps</li>
-<li>Nrepeat = # of times to use input values for calculating averages</li>
-<li>Nfreq = calculate averages every this many timesteps
-one or more input values can be listed</li>
-<li>value = x, y, z, vx, vy, vz, fx, fy, fz, c_ID, c_ID[i], f_ID, f_ID[i], v_name</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">ave/atom = style name of this fix command</p>
+</li>
+<li><p class="first">Nevery = use input values every this many timesteps</p>
+</li>
+<li><p class="first">Nrepeat = # of times to use input values for calculating averages</p>
+</li>
+<li><p class="first">Nfreq = calculate averages every this many timesteps
+one or more input values can be listed</p>
+</li>
+<li><p class="first">value = x, y, z, vx, vy, vz, fx, fy, fz, c_ID, c_ID[i], f_ID, f_ID[i], v_name</p>
<pre class="literal-block">
x,y,z,vx,vy,vz,fx,fy,fz = atom attribute (position, velocity, force component)
c_ID = per-atom vector calculated by a compute with ID
@@ -148,6 +392,8 @@ f_ID = per-atom vector calculated by a fix with ID
f_ID[I] = Ith column of per-atom array calculated by a fix with ID, I can include wildcard (see below)
v_name = per-atom vector calculated by an atom-style variable with name
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -283,6 +529,15 @@ the <a class="reference internal" href="run.html"><span class="doc">run</span></
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ave_chunk.html" class="btn btn-neutral float-right" title="fix ave/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_atom_swap.html" class="btn btn-neutral" title="fix atom/swap command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_ave_chunk.html b/doc/html/fix_ave_chunk.html
index a6293fb62e223e61d1e652062159c3013a6c3967..d4a7f59b1ce29bd3bf78c8767488bf8c1c149e87 100644
--- a/doc/html/fix_ave_chunk.html
+++ b/doc/html/fix_ave_chunk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix ave/correlate command" href="fix_ave_correlate.html"/>
+ <link rel="prev" title="fix ave/atom command" href="fix_ave_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix ave/chunk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix ave/chunk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ave_correlate.html" class="btn btn-neutral float-right" title="fix ave/correlate command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ave_atom.html" class="btn btn-neutral" title="fix ave/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,16 +372,22 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">ave</span><span class="o">/</span><span class="n">chunk</span> <span class="n">Nevery</span> <span class="n">Nrepeat</span> <span class="n">Nfreq</span> <span class="n">chunkID</span> <span class="n">value1</span> <span class="n">value2</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">args</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>ave/chunk = style name of this fix command</li>
-<li>Nevery = use input values every this many timesteps</li>
-<li>Nrepeat = # of times to use input values for calculating averages</li>
-<li>Nfreq = calculate averages every this many timesteps</li>
-<li>chunkID = ID of <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command</li>
-<li>one or more input values can be listed</li>
-<li>value = vx, vy, vz, fx, fy, fz, density/mass, density/number, temp, c_ID, c_ID[I], f_ID, f_ID[I], v_name</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">ave/chunk = style name of this fix command</p>
+</li>
+<li><p class="first">Nevery = use input values every this many timesteps</p>
+</li>
+<li><p class="first">Nrepeat = # of times to use input values for calculating averages</p>
+</li>
+<li><p class="first">Nfreq = calculate averages every this many timesteps</p>
+</li>
+<li><p class="first">chunkID = ID of <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command</p>
+</li>
+<li><p class="first">one or more input values can be listed</p>
+</li>
+<li><p class="first">value = vx, vy, vz, fx, fy, fz, density/mass, density/number, temp, c_ID, c_ID[I], f_ID, f_ID[I], v_name</p>
<pre class="literal-block">
vx,vy,vz,fx,fy,fz = atom attribute (velocity, force component)
density/number, density/mass = number or mass density
@@ -151,10 +398,10 @@ f_ID = per-atom vector calculated by a fix with ID
f_ID[I] = Ith column of per-atom array calculated by a fix with ID, I can include wildcard (see below)
v_name = per-atom vector calculated by an atom-style variable with name
</pre>
-<ul class="simple">
-<li>zero or more keyword/arg pairs may be appended</li>
-<li>keyword = <em>norm</em> or <em>ave</em> or <em>bias</em> or <em>adof</em> or <em>cdof</em> or <em>file</em> or <em>overwrite</em> or <em>title1</em> or <em>title2</em> or <em>title3</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/arg pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>norm</em> or <em>ave</em> or <em>bias</em> or <em>adof</em> or <em>cdof</em> or <em>file</em> or <em>overwrite</em> or <em>title1</em> or <em>title2</em> or <em>title3</em></p>
<pre class="literal-block">
<em>norm</em> arg = <em>all</em> or <em>sample</em> or <em>none</em> = how output on <em>Nfreq</em> steps is normalized
all = output is sum of atoms across all <em>Nrepeat</em> samples, divided by atom count
@@ -182,6 +429,8 @@ v_name = per-atom vector calculated by an atom-style variable with name
<em>title3</em> arg = string
string = text to print as 3rd line of output file
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -214,7 +463,7 @@ averages can be used by other <a class="reference internal" href="Section_howto.
<p>In LAMMPS, chunks are collections of atoms defined by a <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> command, which assigns each atom
to a single chunk (or no chunk). The ID for this command is specified
as chunkID. For example, a single chunk could be the atoms in a
-molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and “<a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section_howto 23</span></a> for details of how chunks can be
+molecule or atoms in a spatial bin. See the <a class="reference internal" href="compute_chunk_atom.html"><span class="doc">compute chunk/atom</span></a> doc page and <a class="reference internal" href="Section_howto.html#howto-23"><span class="std std-ref">Section 6.23</span></a> for details of how chunks can be
defined and examples of how they can be used to measure properties of
a system.</p>
<p>Note that only atoms in the specified group contribute to the summing
@@ -548,6 +797,15 @@ title 1,2,3 = strings as described above.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ave_correlate.html" class="btn btn-neutral float-right" title="fix ave/correlate command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ave_atom.html" class="btn btn-neutral" title="fix ave/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_ave_correlate.html b/doc/html/fix_ave_correlate.html
index c191ecefa1d231a92b51916e6c2229e7664a91d8..08d7e662fa0d555fd85f45bb1dade80ae8e5b8fc 100644
--- a/doc/html/fix_ave_correlate.html
+++ b/doc/html/fix_ave_correlate.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix ave/correlate/long command" href="fix_ave_correlate_long.html"/>
+ <link rel="prev" title="fix ave/chunk command" href="fix_ave_chunk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix ave/correlate command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix ave/correlate command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ave_correlate_long.html" class="btn btn-neutral float-right" title="fix ave/correlate/long command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ave_chunk.html" class="btn btn-neutral" title="fix ave/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,15 +371,20 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">ave</span><span class="o">/</span><span class="n">correlate</span> <span class="n">Nevery</span> <span class="n">Nrepeat</span> <span class="n">Nfreq</span> <span class="n">value1</span> <span class="n">value2</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">args</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>ave/correlate = style name of this fix command</li>
-<li>Nevery = use input values every this many timesteps</li>
-<li>Nrepeat = # of correlation time windows to accumulate</li>
-<li>Nfreq = calculate time window averages every this many timesteps</li>
-<li>one or more input values can be listed</li>
-<li>value = c_ID, c_ID[N], f_ID, f_ID[N], v_name</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">ave/correlate = style name of this fix command</p>
+</li>
+<li><p class="first">Nevery = use input values every this many timesteps</p>
+</li>
+<li><p class="first">Nrepeat = # of correlation time windows to accumulate</p>
+</li>
+<li><p class="first">Nfreq = calculate time window averages every this many timesteps</p>
+</li>
+<li><p class="first">one or more input values can be listed</p>
+</li>
+<li><p class="first">value = c_ID, c_ID[N], f_ID, f_ID[N], v_name</p>
<pre class="literal-block">
c_ID = global scalar calculated by a compute with ID
c_ID[I] = Ith component of global vector calculated by a compute with ID, I can include wildcard (see below)
@@ -148,10 +393,10 @@ f_ID[I] = Ith component of global vector calculated by a fix with ID, I can incl
v_name = global value calculated by an equal-style variable with name
v_name[I] = Ith component of a vector-style variable with name
</pre>
-<ul class="simple">
-<li>zero or more keyword/arg pairs may be appended</li>
-<li>keyword = <em>type</em> or <em>ave</em> or <em>start</em> or <em>prefactor</em> or <em>file</em> or <em>overwrite</em> or <em>title1</em> or <em>title2</em> or <em>title3</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/arg pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>type</em> or <em>ave</em> or <em>start</em> or <em>prefactor</em> or <em>file</em> or <em>overwrite</em> or <em>title1</em> or <em>title2</em> or <em>title3</em></p>
<pre class="literal-block">
<em>type</em> arg = <em>auto</em> or <em>upper</em> or <em>lower</em> or <em>auto/upper</em> or <em>auto/lower</em> or <em>full</em>
auto = correlate each value with itself
@@ -177,6 +422,8 @@ v_name[I] = Ith component of a vector-style variable with name
<em>title3</em> arg = string
string = text to print as 3rd line of output file
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -449,6 +696,15 @@ output, title 1,2,3 = strings as described above, and prefactor = 1.0.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ave_correlate_long.html" class="btn btn-neutral float-right" title="fix ave/correlate/long command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ave_chunk.html" class="btn btn-neutral" title="fix ave/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_ave_correlate_long.html b/doc/html/fix_ave_correlate_long.html
index a673143beb5c44c8dcac86df332875cc84942a03..9e40d21e835ed8830dc027abbfe544dfd7802891 100644
--- a/doc/html/fix_ave_correlate_long.html
+++ b/doc/html/fix_ave_correlate_long.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix ave/histo command" href="fix_ave_histo.html"/>
+ <link rel="prev" title="fix ave/correlate command" href="fix_ave_correlate.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix ave/correlate/long command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix ave/correlate/long command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ave_histo.html" class="btn btn-neutral float-right" title="fix ave/histo command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ave_correlate.html" class="btn btn-neutral" title="fix ave/correlate command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,14 +371,18 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">ave</span><span class="o">/</span><span class="n">correlate</span><span class="o">/</span><span class="n">long</span> <span class="n">Nevery</span> <span class="n">Nfreq</span> <span class="n">value1</span> <span class="n">value2</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">args</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>ave/correlate/long = style name of this fix command</li>
-<li>Nevery = use input values every this many timesteps</li>
-<li>Nfreq = save state of the time correlation functions every this many timesteps</li>
-<li>one or more input values can be listed</li>
-<li>value = c_ID, c_ID[N], f_ID, f_ID[N], v_name</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">ave/correlate/long = style name of this fix command</p>
+</li>
+<li><p class="first">Nevery = use input values every this many timesteps</p>
+</li>
+<li><p class="first">Nfreq = save state of the time correlation functions every this many timesteps</p>
+</li>
+<li><p class="first">one or more input values can be listed</p>
+</li>
+<li><p class="first">value = c_ID, c_ID[N], f_ID, f_ID[N], v_name</p>
<pre class="literal-block">
c_ID = global scalar calculated by a compute with ID
c_ID[I] = Ith component of global vector calculated by a compute with ID
@@ -146,10 +390,10 @@ f_ID = global scalar calculated by a fix with ID
f_ID[I] = Ith component of global vector calculated by a fix with ID
v_name = global value calculated by an equal-style variable with name
</pre>
-<ul class="simple">
-<li>zero or more keyword/arg pairs may be appended</li>
-<li>keyword = <em>type</em> or <em>start</em> or <em>file</em> or <em>overwrite</em> or <em>title1</em> or <em>title2</em> or <em>ncorr</em> or <em>p</em> or <em>m</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/arg pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>type</em> or <em>start</em> or <em>file</em> or <em>overwrite</em> or <em>title1</em> or <em>title2</em> or <em>ncorr</em> or <em>p</em> or <em>m</em></p>
<pre class="literal-block">
<em>type</em> arg = <em>auto</em> or <em>upper</em> or <em>lower</em> or <em>auto/upper</em> or <em>auto/lower</em> or <em>full</em>
auto = correlate each value with itself
@@ -174,6 +418,8 @@ v_name = global value calculated by an equal-style variable with name
<em>ncount</em> args = Ncount
Ncount = number of values over which succesive correlators are averaged
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -255,6 +501,15 @@ A.E. Likhtman, J. Chem. Phys. 133, 154103 (2010).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ave_histo.html" class="btn btn-neutral float-right" title="fix ave/histo command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ave_correlate.html" class="btn btn-neutral" title="fix ave/correlate command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_ave_histo.html b/doc/html/fix_ave_histo.html
index bb07687b4a40a3cb30385a17e04ab855bb49adc7..2496b790863e849d47f426d93a9c7fd12b4d8c05 100644
--- a/doc/html/fix_ave_histo.html
+++ b/doc/html/fix_ave_histo.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix ave/time command" href="fix_ave_time.html"/>
+ <link rel="prev" title="fix ave/correlate/long command" href="fix_ave_correlate_long.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-ave-histo-weight-command">fix ave/histo/weight command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix ave/histo command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ave_time.html" class="btn btn-neutral float-right" title="fix ave/time command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ave_correlate_long.html" class="btn btn-neutral" title="fix ave/correlate/long command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -134,17 +374,24 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">style</span> <span class="n">Nevery</span> <span class="n">Nrepeat</span> <span class="n">Nfreq</span> <span class="n">lo</span> <span class="n">hi</span> <span class="n">Nbin</span> <span class="n">value1</span> <span class="n">value2</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">args</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>style = <em>ave/histo</em> or <em>ave/histo/weight</em> = style name of this fix command</li>
-<li>Nevery = use input values every this many timesteps</li>
-<li>Nrepeat = # of times to use input values for calculating histogram</li>
-<li>Nfreq = calculate histogram every this many timesteps</li>
-<li>lo,hi = lo/hi bounds within which to histogram</li>
-<li>Nbin = # of histogram bins</li>
-<li>one or more input values can be listed</li>
-<li>value = x, y, z, vx, vy, vz, fx, fy, fz, c_ID, c_ID[N], f_ID, f_ID[N], v_name</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">style = <em>ave/histo</em> or <em>ave/histo/weight</em> = style name of this fix command</p>
+</li>
+<li><p class="first">Nevery = use input values every this many timesteps</p>
+</li>
+<li><p class="first">Nrepeat = # of times to use input values for calculating histogram</p>
+</li>
+<li><p class="first">Nfreq = calculate histogram every this many timesteps</p>
+</li>
+<li><p class="first">lo,hi = lo/hi bounds within which to histogram</p>
+</li>
+<li><p class="first">Nbin = # of histogram bins</p>
+</li>
+<li><p class="first">one or more input values can be listed</p>
+</li>
+<li><p class="first">value = x, y, z, vx, vy, vz, fx, fy, fz, c_ID, c_ID[N], f_ID, f_ID[N], v_name</p>
<pre class="literal-block">
x,y,z,vx,vy,vz,fx,fy,fz = atom attribute (position, velocity, force component)
c_ID = scalar or vector calculated by a compute with ID
@@ -154,10 +401,10 @@ f_ID[I] = Ith component of vector or Ith column of array calculated by a fix wit
v_name = value(s) calculated by an equal-style or vector-style or atom-style variable with name
v_name[I] = value calculated by a vector-style variable with name
</pre>
-<ul class="simple">
-<li>zero or more keyword/arg pairs may be appended</li>
-<li>keyword = <em>mode</em> or <em>file</em> or <em>ave</em> or <em>start</em> or <em>beyond</em> or <em>overwrite</em> or <em>title1</em> or <em>title2</em> or <em>title3</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/arg pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>mode</em> or <em>file</em> or <em>ave</em> or <em>start</em> or <em>beyond</em> or <em>overwrite</em> or <em>title1</em> or <em>title2</em> or <em>title3</em></p>
<pre class="literal-block">
<em>mode</em> arg = <em>scalar</em> or <em>vector</em>
scalar = all input values are scalars
@@ -182,6 +429,8 @@ v_name[I] = value calculated by a vector-style variable with name
<em>title3</em> arg = string
string = text to print as 3rd line of output file, only for vector mode
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -446,6 +695,15 @@ output, beyond = ignore, and title 1,2,3 = strings as described above.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ave_time.html" class="btn btn-neutral float-right" title="fix ave/time command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ave_correlate_long.html" class="btn btn-neutral" title="fix ave/correlate/long command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_ave_time.html b/doc/html/fix_ave_time.html
index 2d41fdc0dc7e025854825a88dc2dbdd033c978cd..436cc8d7c0841056ff07d2fe3e33f275a3cfd558 100644
--- a/doc/html/fix_ave_time.html
+++ b/doc/html/fix_ave_time.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix aveforce command" href="fix_aveforce.html"/>
+ <link rel="prev" title="fix ave/histo command" href="fix_ave_histo.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix ave/time command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix ave/time command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_aveforce.html" class="btn btn-neutral float-right" title="fix aveforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ave_histo.html" class="btn btn-neutral" title="fix ave/histo command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,15 +372,20 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">ave</span><span class="o">/</span><span class="n">time</span> <span class="n">Nevery</span> <span class="n">Nrepeat</span> <span class="n">Nfreq</span> <span class="n">value1</span> <span class="n">value2</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">args</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>ave/time = style name of this fix command</li>
-<li>Nevery = use input values every this many timesteps</li>
-<li>Nrepeat = # of times to use input values for calculating averages</li>
-<li>Nfreq = calculate averages every this many timesteps</li>
-<li>one or more input values can be listed</li>
-<li>value = c_ID, c_ID[N], f_ID, f_ID[N], v_name</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">ave/time = style name of this fix command</p>
+</li>
+<li><p class="first">Nevery = use input values every this many timesteps</p>
+</li>
+<li><p class="first">Nrepeat = # of times to use input values for calculating averages</p>
+</li>
+<li><p class="first">Nfreq = calculate averages every this many timesteps</p>
+</li>
+<li><p class="first">one or more input values can be listed</p>
+</li>
+<li><p class="first">value = c_ID, c_ID[N], f_ID, f_ID[N], v_name</p>
<pre class="literal-block">
c_ID = global scalar or vector calculated by a compute with ID
c_ID[I] = Ith component of global vector or Ith column of global array calculated by a compute with ID, I can include wildcard (see below)
@@ -148,10 +394,10 @@ f_ID[I] = Ith component of global vector or Ith column of global array calculate
v_name = value(s) calculated by an equal-style or vector-style variable with name
v_name[I] = value calculated by a vector-style variable with name
</pre>
-<ul class="simple">
-<li>zero or more keyword/arg pairs may be appended</li>
-<li>keyword = <em>mode</em> or <em>file</em> or <em>ave</em> or <em>start</em> or <em>off</em> or <em>overwrite</em> or <em>title1</em> or <em>title2</em> or <em>title3</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/arg pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>mode</em> or <em>file</em> or <em>ave</em> or <em>start</em> or <em>off</em> or <em>overwrite</em> or <em>title1</em> or <em>title2</em> or <em>title3</em></p>
<pre class="literal-block">
<em>mode</em> arg = <em>scalar</em> or <em>vector</em>
scalar = all input values are global scalars
@@ -176,6 +422,8 @@ v_name[I] = value calculated by a vector-style variable with name
<em>title3</em> arg = string
string = text to print as 3rd line of output file, only for vector mode
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -435,6 +683,15 @@ off settings for any input values.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_aveforce.html" class="btn btn-neutral float-right" title="fix aveforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ave_histo.html" class="btn btn-neutral" title="fix ave/histo command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_aveforce.html b/doc/html/fix_aveforce.html
index 3a4daf418a239ca512510a8fb967afb60a93dd58..677ca554e060bf087a25479d5f54b64c8d878275 100644
--- a/doc/html/fix_aveforce.html
+++ b/doc/html/fix_aveforce.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix balance command" href="fix_balance.html"/>
+ <link rel="prev" title="fix ave/time command" href="fix_ave_time.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix aveforce command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix aveforce command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_balance.html" class="btn btn-neutral float-right" title="fix balance command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ave_time.html" class="btn btn-neutral" title="fix ave/time command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,22 +371,25 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">aveforce</span> <span class="n">fx</span> <span class="n">fy</span> <span class="n">fz</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>aveforce = style name of this fix command</li>
-<li>fx,fy,fz = force component values (force units)</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">aveforce = style name of this fix command</p>
+</li>
+<li><p class="first">fx,fy,fz = force component values (force units)</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="nb">any</span> <span class="n">of</span> <span class="n">fx</span><span class="p">,</span><span class="n">fy</span><span class="p">,</span><span class="n">fz</span> <span class="n">can</span> <span class="n">be</span> <span class="n">a</span> <span class="n">variable</span> <span class="p">(</span><span class="n">see</span> <span class="n">below</span><span class="p">)</span>
</pre></div>
</div>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended to args</li>
-<li>keyword = <em>region</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended to args</p>
+</li>
+<li><p class="first">keyword = <em>region</em></p>
<pre class="literal-block">
<em>region</em> value = region-ID
region-ID = ID of region atoms must be in to have added force
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -187,7 +430,7 @@ to it.</p>
<p>Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
-<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual. The
+<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual. The
accelerated styles take the same arguments and should produce the same
results, except for round-off and precision issues.</p>
<p>These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
@@ -196,7 +439,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -234,6 +477,15 @@ the iteration count during the minimization.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_balance.html" class="btn btn-neutral float-right" title="fix balance command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ave_time.html" class="btn btn-neutral" title="fix ave/time command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_balance.html b/doc/html/fix_balance.html
index 56beb5da2be8f09d75e64a5559316741778b0e06..337ad90f3e48177837521a180c6e90d116a1dc8d 100644
--- a/doc/html/fix_balance.html
+++ b/doc/html/fix_balance.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix bond/break command" href="fix_bond_break.html"/>
+ <link rel="prev" title="fix aveforce command" href="fix_aveforce.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix balance command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix balance command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_bond_break.html" class="btn btn-neutral float-right" title="fix bond/break command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_aveforce.html" class="btn btn-neutral" title="fix aveforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,13 +371,16 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">balance</span> <span class="n">Nfreq</span> <span class="n">thresh</span> <span class="n">style</span> <span class="n">args</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>balance = style name of this fix command</li>
-<li>Nfreq = perform dynamic load balancing every this many steps</li>
-<li>thresh = imbalance threshhold that must be exceeded to perform a re-balance</li>
-<li>style = <em>shift</em> or <em>rcb</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">balance = style name of this fix command</p>
+</li>
+<li><p class="first">Nfreq = perform dynamic load balancing every this many steps</p>
+</li>
+<li><p class="first">thresh = imbalance threshhold that must be exceeded to perform a re-balance</p>
+</li>
+<li><p class="first">style = <em>shift</em> or <em>rcb</em></p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">shift</span> <span class="n">args</span> <span class="o">=</span> <span class="n">dimstr</span> <span class="n">Niter</span> <span class="n">stopthresh</span>
<span class="n">dimstr</span> <span class="o">=</span> <span class="n">sequence</span> <span class="n">of</span> <span class="n">letters</span> <span class="n">containing</span> <span class="s2">"x"</span> <span class="ow">or</span> <span class="s2">"y"</span> <span class="ow">or</span> <span class="s2">"z"</span><span class="p">,</span> <span class="n">each</span> <span class="ow">not</span> <span class="n">more</span> <span class="n">than</span> <span class="n">once</span>
<span class="n">Niter</span> <span class="o">=</span> <span class="c1"># of times to iterate within each dimension of dimstr sequence</span>
@@ -145,14 +388,16 @@
<span class="n">rcb</span> <span class="n">args</span> <span class="o">=</span> <span class="n">none</span>
</pre></div>
</div>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>out</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>out</em></p>
<pre class="literal-block">
<em>out</em> value = filename
filename = write each processor's sub-domain to a file, at each re-balancing
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -241,7 +486,7 @@ applied.</p>
title=""
data-title=""
><img src="_images/balance_uniform.jpg"
- class="align-center"
+ class=""
width="25%"
height="auto"
alt=""/>
@@ -251,7 +496,7 @@ applied.</p>
title=""
data-title=""
><img src="_images/balance_nonuniform.jpg"
- class="align-center"
+ class=""
width="25%"
height="auto"
alt=""/>
@@ -261,7 +506,7 @@ applied.</p>
title=""
data-title=""
><img src="_images/balance_rcb.jpg"
- class="align-center"
+ class=""
width="25%"
height="auto"
alt=""/>
@@ -471,6 +716,15 @@ style.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_bond_break.html" class="btn btn-neutral float-right" title="fix bond/break command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_aveforce.html" class="btn btn-neutral" title="fix aveforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_bond_break.html b/doc/html/fix_bond_break.html
index ef0c90e2a9e7221ff67dd7b9fe6417aae46f4354..e7126f68b89c4d1388cdb12993e9b16b9f448073 100644
--- a/doc/html/fix_bond_break.html
+++ b/doc/html/fix_bond_break.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix bond/create command" href="fix_bond_create.html"/>
+ <link rel="prev" title="fix balance command" href="fix_balance.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix bond/break command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix bond/break command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_bond_create.html" class="btn btn-neutral float-right" title="fix bond/create command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_balance.html" class="btn btn-neutral" title="fix balance command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,20 +372,27 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">bond</span><span class="o">/</span><span class="k">break</span> <span class="n">Nevery</span> <span class="n">bondtype</span> <span class="n">Rmax</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>bond/break = style name of this fix command</li>
-<li>Nevery = attempt bond breaking every this many steps</li>
-<li>bondtype = type of bonds to break</li>
-<li>Rmax = bond longer than Rmax can break (distance units)</li>
-<li>zero or more keyword/value pairs may be appended to args</li>
-<li>keyword = <em>prob</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">bond/break = style name of this fix command</p>
+</li>
+<li><p class="first">Nevery = attempt bond breaking every this many steps</p>
+</li>
+<li><p class="first">bondtype = type of bonds to break</p>
+</li>
+<li><p class="first">Rmax = bond longer than Rmax can break (distance units)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended to args</p>
+</li>
+<li><p class="first">keyword = <em>prob</em></p>
<pre class="literal-block">
<em>prob</em> values = fraction seed
fraction = break a bond with this probability if otherwise eligible
seed = random number seed (positive integer)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -266,6 +514,15 @@ built with that package. See the <a class="reference internal" href="Section_st
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_bond_create.html" class="btn btn-neutral float-right" title="fix bond/create command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_balance.html" class="btn btn-neutral" title="fix balance command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_bond_create.html b/doc/html/fix_bond_create.html
index 8854f575783604164cb53f5bbc7e5b91a4cf8494..383caf93a55dfd731b27b9721af0cacfe2b41aa7 100644
--- a/doc/html/fix_bond_create.html
+++ b/doc/html/fix_bond_create.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix bond/swap command" href="fix_bond_swap.html"/>
+ <link rel="prev" title="fix bond/break command" href="fix_bond_break.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix bond/create command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix bond/create command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_bond_swap.html" class="btn btn-neutral float-right" title="fix bond/swap command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_bond_break.html" class="btn btn-neutral" title="fix bond/break command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,16 +372,22 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">bond</span><span class="o">/</span><span class="n">create</span> <span class="n">Nevery</span> <span class="n">itype</span> <span class="n">jtype</span> <span class="n">Rmin</span> <span class="n">bondtype</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>bond/create = style name of this fix command</li>
-<li>Nevery = attempt bond creation every this many steps</li>
-<li>itype,jtype = atoms of itype can bond to atoms of jtype</li>
-<li>Rmin = 2 atoms separated by less than Rmin can bond (distance units)</li>
-<li>bondtype = type of created bonds</li>
-<li>zero or more keyword/value pairs may be appended to args</li>
-<li>keyword = <em>iparam</em> or <em>jparam</em> or <em>prob</em> or <em>atype</em> or <em>dtype</em> or <em>itype</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">bond/create = style name of this fix command</p>
+</li>
+<li><p class="first">Nevery = attempt bond creation every this many steps</p>
+</li>
+<li><p class="first">itype,jtype = atoms of itype can bond to atoms of jtype</p>
+</li>
+<li><p class="first">Rmin = 2 atoms separated by less than Rmin can bond (distance units)</p>
+</li>
+<li><p class="first">bondtype = type of created bonds</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended to args</p>
+</li>
+<li><p class="first">keyword = <em>iparam</em> or <em>jparam</em> or <em>prob</em> or <em>atype</em> or <em>dtype</em> or <em>itype</em></p>
<pre class="literal-block">
<em>iparam</em> values = maxbond, newtype
maxbond = max # of bonds of bondtype the itype atom can have
@@ -158,6 +405,8 @@
<em>itype</em> value = impropertype
impropertype = type of created impropers
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -363,6 +612,15 @@ prob = 1.0.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_bond_swap.html" class="btn btn-neutral float-right" title="fix bond/swap command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_bond_break.html" class="btn btn-neutral" title="fix bond/break command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_bond_swap.html b/doc/html/fix_bond_swap.html
index a3ae59400a24bafbcd20b194e44e3248897233f0..88dcc33dfb0282bcbdd6a668948d586706bd7405 100644
--- a/doc/html/fix_bond_swap.html
+++ b/doc/html/fix_bond_swap.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix box/relax command" href="fix_box_relax.html"/>
+ <link rel="prev" title="fix bond/create command" href="fix_bond_create.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix bond/swap command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix bond/swap command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_box_relax.html" class="btn btn-neutral float-right" title="fix box/relax command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_bond_create.html" class="btn btn-neutral" title="fix bond/create command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -297,6 +537,15 @@ cannot use a dihedral or improper potential.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_box_relax.html" class="btn btn-neutral float-right" title="fix box/relax command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_bond_create.html" class="btn btn-neutral" title="fix bond/create command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_box_relax.html b/doc/html/fix_box_relax.html
index e81bc87098096d6e05429d9722ad14457422852b..6325a307986555c632395adbe132b0c790d6314d 100644
--- a/doc/html/fix_box_relax.html
+++ b/doc/html/fix_box_relax.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix colvars command" href="fix_colvars.html"/>
+ <link rel="prev" title="fix bond/swap command" href="fix_bond_swap.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix box/relax command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix box/relax command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_colvars.html" class="btn btn-neutral float-right" title="fix colvars command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_bond_swap.html" class="btn btn-neutral" title="fix bond/swap command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
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<div itemprop="articleBody">
@@ -131,10 +372,10 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">box</span><span class="o">/</span><span class="n">relax</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>box/relax = style name of this fix command</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">box/relax = style name of this fix command</p>
<pre class="literal-block">
one or more keyword value pairs may be appended
keyword = <em>iso</em> or <em>aniso</em> or <em>tri</em> or <em>x</em> or <em>y</em> or <em>z</em> or <em>xy</em> or <em>yz</em> or <em>xz</em> or <em>couple</em> or <em>nreset</em> or <em>vmax</em> or <em>dilate</em> or <em>scaleyz</em> or <em>scalexz</em> or <em>scalexy</em> or <em>fixedpoint</em>
@@ -150,6 +391,8 @@ keyword = <em>iso</em> or <em>aniso</em> or <em>tri</em> or <em>x</em> or <em>y<
<em>fixedpoint</em> values = x y z
x,y,z = perform relaxation dilation/contraction around this point (distance units)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -469,6 +712,15 @@ and if the tilt factor is not coupled to the barostat via keywords
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_colvars.html" class="btn btn-neutral float-right" title="fix colvars command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_bond_swap.html" class="btn btn-neutral" title="fix bond/swap command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_colvars.html b/doc/html/fix_colvars.html
index 367d9b091c9bb33bc8eeabb80832696706d8d913..4498435e1d1c9b0262800d18f4fcf33dec4f4e63 100644
--- a/doc/html/fix_colvars.html
+++ b/doc/html/fix_colvars.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix controller command" href="fix_controller.html"/>
+ <link rel="prev" title="fix box/relax command" href="fix_box_relax.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix colvars command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix colvars command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_controller.html" class="btn btn-neutral float-right" title="fix controller command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_box_relax.html" class="btn btn-neutral" title="fix box/relax command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +372,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">colvars</span> <span class="n">configfile</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>colvars = style name of this fix command</li>
-<li>configfile = the configuration file for the colvars module</li>
-<li>keyword = <em>input</em> or <em>output</em> or <em>seed</em> or <em>tstat</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">colvars = style name of this fix command</p>
+</li>
+<li><p class="first">configfile = the configuration file for the colvars module</p>
+</li>
+<li><p class="first">keyword = <em>input</em> or <em>output</em> or <em>seed</em> or <em>tstat</em></p>
<pre class="literal-block">
<em>input</em> arg = colvars.state file name or prefix or NULL (default: NULL)
<em>output</em> arg = output filename prefix (default: out)
@@ -145,6 +388,8 @@
use unwrapped coordinates in collective variables (default: yes)
<em>tstat</em> arg = fix id of a thermostat or NULL (default: NULL)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -242,6 +487,15 @@ and tstat = NULL.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_controller.html" class="btn btn-neutral float-right" title="fix controller command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_box_relax.html" class="btn btn-neutral" title="fix box/relax command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_controller.html b/doc/html/fix_controller.html
index e9e662670c1b2746f8c9ad587565c63122fb71f1..dcfaa3bd1f351b9fed459c22cb4218c03e7865fb 100644
--- a/doc/html/fix_controller.html
+++ b/doc/html/fix_controller.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix deform command" href="fix_deform.html"/>
+ <link rel="prev" title="fix colvars command" href="fix_colvars.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix controller command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix controller command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_deform.html" class="btn btn-neutral float-right" title="fix deform command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_colvars.html" class="btn btn-neutral" title="fix colvars command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,16 +371,22 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">controller</span> <span class="n">Nevery</span> <span class="n">alpha</span> <span class="n">Kp</span> <span class="n">Ki</span> <span class="n">Kd</span> <span class="n">pvar</span> <span class="n">setpoint</span> <span class="n">cvar</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>controller = style name of this fix command</li>
-<li>Nevery = invoke controller every this many timesteps</li>
-<li>alpha = coupling constant for PID equation (see units discussion below)</li>
-<li>Kp = proportional gain in PID equation (unitless)</li>
-<li>Ki = integral gain in PID equation (unitless)</li>
-<li>Kd = derivative gain in PID equation (unitless)</li>
-<li>pvar = process variable of form c_ID, c_ID[I], f_ID, f_ID[I], or v_name</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">controller = style name of this fix command</p>
+</li>
+<li><p class="first">Nevery = invoke controller every this many timesteps</p>
+</li>
+<li><p class="first">alpha = coupling constant for PID equation (see units discussion below)</p>
+</li>
+<li><p class="first">Kp = proportional gain in PID equation (unitless)</p>
+</li>
+<li><p class="first">Ki = integral gain in PID equation (unitless)</p>
+</li>
+<li><p class="first">Kd = derivative gain in PID equation (unitless)</p>
+</li>
+<li><p class="first">pvar = process variable of form c_ID, c_ID[I], f_ID, f_ID[I], or v_name</p>
<pre class="literal-block">
c_ID = global scalar calculated by a compute with ID
c_ID[I] = Ith component of global vector calculated by a compute with ID
@@ -148,9 +394,11 @@ f_ID = global scalar calculated by a fix with ID
f_ID[I] = Ith component of global vector calculated by a fix with ID
v_name = value calculated by an equal-style variable with name
</pre>
-<ul class="simple">
-<li>setpoint = desired value of process variable (same units as process variable)</li>
-<li>cvar = name of control variable</li>
+</li>
+<li><p class="first">setpoint = desired value of process variable (same units as process variable)</p>
+</li>
+<li><p class="first">cvar = name of control variable</p>
+</li>
</ul>
</div>
<div class="section" id="examples">
@@ -335,6 +583,15 @@ the <a class="reference internal" href="run.html"><span class="doc">run</span></
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_deform.html" class="btn btn-neutral float-right" title="fix deform command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_colvars.html" class="btn btn-neutral" title="fix colvars command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_deform.html b/doc/html/fix_deform.html
index d23425a85be9ab4e4bd87f2b259bae6b554c2282..17a4677f9e3a7cff97351d531522aa07dc060877 100644
--- a/doc/html/fix_deform.html
+++ b/doc/html/fix_deform.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix deposit command" href="fix_deposit.html"/>
+ <link rel="prev" title="fix controller command" href="fix_controller.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-deform-kk-command">fix deform/kk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix deform command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_deposit.html" class="btn btn-neutral float-right" title="fix deposit command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_controller.html" class="btn btn-neutral" title="fix controller command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -134,12 +375,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">deform</span> <span class="n">N</span> <span class="n">parameter</span> <span class="n">args</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>deform = style name of this fix command</li>
-<li>N = perform box deformation every this many timesteps</li>
-<li>one or more parameter/arg pairs may be appended</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">deform = style name of this fix command</p>
+</li>
+<li><p class="first">N = perform box deformation every this many timesteps</p>
+</li>
+<li><p class="first">one or more parameter/arg pairs may be appended</p>
<pre class="literal-block">
parameter = <em>x</em> or <em>y</em> or <em>z</em> or <em>xy</em> or <em>xz</em> or <em>yz</em>
<em>x</em>, <em>y</em>, <em>z</em> args = style value(s)
@@ -152,7 +395,7 @@ parameter = <em>x</em> or <em>y</em> or <em>z</em> or <em>xy</em> or <em>xz</em>
factor = multiplicative factor for change in box length at end of run
<em>vel</em> value = V
V = change box length at this velocity (distance/time units),
- effectively an engineering strain rate
+ effectively an engineering strain rate
<em>erate</em> value = R
R = engineering strain rate (1/time units)
<em>trate</em> value = R
@@ -160,10 +403,10 @@ parameter = <em>x</em> or <em>y</em> or <em>z</em> or <em>xy</em> or <em>xz</em>
<em>volume</em> value = none = adjust this dim to preserve volume of system
<em>wiggle</em> values = A Tp
A = amplitude of oscillation (distance units)
- Tp = period of oscillation (time units)
+ Tp = period of oscillation (time units)
<em>variable</em> values = v_name1 v_name2
v_name1 = variable with name1 for box length change as function of time
- v_name2 = variable with name2 for change rate as function of time
+ v_name2 = variable with name2 for change rate as function of time
<em>xy</em>, <em>xz</em>, <em>yz</em> args = style value
style = <em>final</em> or <em>delta</em> or <em>vel</em> or <em>erate</em> or <em>trate</em> or <em>wiggle</em>
<em>final</em> value = tilt
@@ -172,22 +415,22 @@ parameter = <em>x</em> or <em>y</em> or <em>z</em> or <em>xy</em> or <em>xz</em>
dtilt = change in tilt factor at end of run (distance units)
<em>vel</em> value = V
V = change tilt factor at this velocity (distance/time units),
- effectively an engineering shear strain rate
+ effectively an engineering shear strain rate
<em>erate</em> value = R
R = engineering shear strain rate (1/time units)
<em>trate</em> value = R
R = true shear strain rate (1/time units)
<em>wiggle</em> values = A Tp
A = amplitude of oscillation (distance units)
- Tp = period of oscillation (time units)
+ Tp = period of oscillation (time units)
<em>variable</em> values = v_name1 v_name2
v_name1 = variable with name1 for tilt change as function of time
- v_name2 = variable with name2 for change rate as function of time
+ v_name2 = variable with name2 for change rate as function of time
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>remap</em> or <em>flip</em> or <em>units</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>remap</em> or <em>flip</em> or <em>units</em></p>
<pre class="literal-block">
<em>remap</em> value = <em>x</em> or <em>v</em> or <em>none</em>
x = remap coords of atoms in group into deforming box
@@ -199,6 +442,8 @@ parameter = <em>x</em> or <em>y</em> or <em>z</em> or <em>xy</em> or <em>xz</em>
lattice = distances are defined in lattice units
box = distances are defined in simulation box units
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -621,7 +866,7 @@ command if you want to include lattice spacings in a variable formula.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -631,7 +876,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
<p>No information about this fix is written to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>. None of the <a class="reference internal" href="fix_modify.html"><span class="doc">fix_modify</span></a> options
@@ -664,6 +909,15 @@ xy) that is shrink-wrapped via the <a class="reference internal" href="boundary.
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_deposit.html" class="btn btn-neutral float-right" title="fix deposit command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_controller.html" class="btn btn-neutral" title="fix controller command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_deposit.html b/doc/html/fix_deposit.html
index 566b35325561621932c72a034f2d28253922339f..ae097c4fd21b33955625b521deb8f00f70ef73a0 100644
--- a/doc/html/fix_deposit.html
+++ b/doc/html/fix_deposit.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix drag command" href="fix_drag.html"/>
+ <link rel="prev" title="fix deform command" href="fix_deform.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix deposit command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix deposit command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_drag.html" class="btn btn-neutral float-right" title="fix drag command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_deform.html" class="btn btn-neutral" title="fix deform command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,16 +372,22 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">deposit</span> <span class="n">N</span> <span class="nb">type</span> <span class="n">M</span> <span class="n">seed</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>deposit = style name of this fix command</li>
-<li>N = # of atoms or molecules to insert</li>
-<li>type = atom type to assign to inserted atoms (offset for moleclue insertion)</li>
-<li>M = insert a single atom or molecule every M steps</li>
-<li>seed = random # seed (positive integer)</li>
-<li>one or more keyword/value pairs may be appended to args</li>
-<li>keyword = <em>region</em> or <em>id</em> or <em>global</em> or <em>local</em> or <em>near</em> or <em>gaussian</em> or <em>attempt</em> or <em>rate</em> or <em>vx</em> or <em>vy</em> or <em>vz</em> or <em>mol</em> or <em>rigid</em> or <em>shake</em> or <em>units</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">deposit = style name of this fix command</p>
+</li>
+<li><p class="first">N = # of atoms or molecules to insert</p>
+</li>
+<li><p class="first">type = atom type to assign to inserted atoms (offset for moleclue insertion)</p>
+</li>
+<li><p class="first">M = insert a single atom or molecule every M steps</p>
+</li>
+<li><p class="first">seed = random # seed (positive integer)</p>
+</li>
+<li><p class="first">one or more keyword/value pairs may be appended to args</p>
+</li>
+<li><p class="first">keyword = <em>region</em> or <em>id</em> or <em>global</em> or <em>local</em> or <em>near</em> or <em>gaussian</em> or <em>attempt</em> or <em>rate</em> or <em>vx</em> or <em>vy</em> or <em>vz</em> or <em>mol</em> or <em>rigid</em> or <em>shake</em> or <em>units</em></p>
<pre class="literal-block">
<em>region</em> value = region-ID
region-ID = ID of region to use as insertion volume
@@ -181,6 +428,8 @@
lattice = the geometry is defined in lattice units
box = the geometry is defined in simulation box units
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -395,6 +644,15 @@ and units = lattice.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_drag.html" class="btn btn-neutral float-right" title="fix drag command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_deform.html" class="btn btn-neutral" title="fix deform command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_drag.html b/doc/html/fix_drag.html
index 5864fe2ce5c5b3377c3b10d5677db5f2b6d3ee6e..e4b8741360ab59aa66228d321d69d59683a3c070 100644
--- a/doc/html/fix_drag.html
+++ b/doc/html/fix_drag.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix drude command" href="fix_drude.html"/>
+ <link rel="prev" title="fix deposit command" href="fix_deposit.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix drag command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix drag command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_drude.html" class="btn btn-neutral float-right" title="fix drude command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_deposit.html" class="btn btn-neutral" title="fix deposit command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -186,6 +426,15 @@ the <a class="reference internal" href="run.html"><span class="doc">run</span></
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_drude.html" class="btn btn-neutral float-right" title="fix drude command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_deposit.html" class="btn btn-neutral" title="fix deposit command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_drude.html b/doc/html/fix_drude.html
index 665b9b37889a0727c82ec0e0dd16a24faecefdc5..a41598cdf668f5be9c7c8f9b8c8c4f46eac393a4 100644
--- a/doc/html/fix_drude.html
+++ b/doc/html/fix_drude.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix drude/transform/direct command" href="fix_drude_transform.html"/>
+ <link rel="prev" title="fix drag command" href="fix_drag.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix drude command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix drude command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_drude_transform.html" class="btn btn-neutral float-right" title="fix drude/transform/direct command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_drag.html" class="btn btn-neutral" title="fix drag command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -175,6 +415,15 @@ the Drude oscillator model, such as <a class="reference internal" href="fix_lang
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_drude_transform.html" class="btn btn-neutral float-right" title="fix drude/transform/direct command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_drag.html" class="btn btn-neutral" title="fix drag command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_drude_transform.html b/doc/html/fix_drude_transform.html
index 6a078677dc6812dd7d9dc147698bb0f332af73c6..1dcd8ca41dc1aa8dc90534380eb9ea25d15b84c7 100644
--- a/doc/html/fix_drude_transform.html
+++ b/doc/html/fix_drude_transform.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix dt/reset command" href="fix_dt_reset.html"/>
+ <link rel="prev" title="fix drude command" href="fix_drude.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix drude/transform/direct command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_dt_reset.html" class="btn btn-neutral float-right" title="fix dt/reset command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_drude.html" class="btn btn-neutral" title="fix drude command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -285,6 +525,15 @@ to add a <em>fix momentum</em> command:</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_dt_reset.html" class="btn btn-neutral float-right" title="fix dt/reset command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_drude.html" class="btn btn-neutral" title="fix drude command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_dt_reset.html b/doc/html/fix_dt_reset.html
index a6e011a7ac8db9832c4739dd16776167780a9df4..f26f8aab03d3ae984b64c0db8d393f9da8d5ee37 100644
--- a/doc/html/fix_dt_reset.html
+++ b/doc/html/fix_dt_reset.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix efield command" href="fix_efield.html"/>
+ <link rel="prev" title="fix drude/transform/direct command" href="fix_drude_transform.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix dt/reset command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix dt/reset command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_efield.html" class="btn btn-neutral float-right" title="fix efield command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_drude_transform.html" class="btn btn-neutral" title="fix drude/transform/direct command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -212,6 +453,15 @@ the <a class="reference internal" href="run.html"><span class="doc">run</span></
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_efield.html" class="btn btn-neutral float-right" title="fix efield command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_drude_transform.html" class="btn btn-neutral" title="fix drude/transform/direct command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_efield.html b/doc/html/fix_efield.html
index 6ddd5f90671235d9df453ee2c151721651bde064..520ec6c8a65e734ea13ff3402b124016a70a7e46 100644
--- a/doc/html/fix_efield.html
+++ b/doc/html/fix_efield.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix ehex command" href="fix_ehex.html"/>
+ <link rel="prev" title="fix dt/reset command" href="fix_dt_reset.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix efield command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix efield command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ehex.html" class="btn btn-neutral float-right" title="fix ehex command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_dt_reset.html" class="btn btn-neutral" title="fix dt/reset command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,20 +371,26 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">efield</span> <span class="n">ex</span> <span class="n">ey</span> <span class="n">ez</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>efield = style name of this fix command</li>
-<li>ex,ey,ez = E-field component values (electric field units)</li>
-<li>any of ex,ey,ez can be a variable (see below)</li>
-<li>zero or more keyword/value pairs may be appended to args</li>
-<li>keyword = <em>region</em> or <em>energy</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">efield = style name of this fix command</p>
+</li>
+<li><p class="first">ex,ey,ez = E-field component values (electric field units)</p>
+</li>
+<li><p class="first">any of ex,ey,ez can be a variable (see below)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended to args</p>
+</li>
+<li><p class="first">keyword = <em>region</em> or <em>energy</em></p>
<pre class="literal-block">
<em>region</em> value = region-ID
region-ID = ID of region atoms must be in to have added force
<em>energy</em> value = v_name
v_name = variable with name that calculates the potential energy of each atom in the added E-field
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -269,6 +515,15 @@ was built with that package. See the <a class="reference internal" href="Sectio
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ehex.html" class="btn btn-neutral float-right" title="fix ehex command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_dt_reset.html" class="btn btn-neutral" title="fix dt/reset command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_ehex.html b/doc/html/fix_ehex.html
index a753adb554ad5e23af2bb058c65045ee9bf66ea5..962df61de98b1df137bc034abc91e5f036f78c0d 100644
--- a/doc/html/fix_ehex.html
+++ b/doc/html/fix_ehex.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix enforce2d command" href="fix_enforce2d.html"/>
+ <link rel="prev" title="fix efield command" href="fix_efield.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix ehex command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix ehex command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_enforce2d.html" class="btn btn-neutral float-right" title="fix enforce2d command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_efield.html" class="btn btn-neutral" title="fix efield command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,14 +371,18 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">ehex</span> <span class="n">nevery</span> <span class="n">F</span> <span class="n">keyword</span> <span class="n">value</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>ehex = style name of this fix command</li>
-<li>nevery = add/subtract heat every this many timesteps</li>
-<li>F = energy flux into the reservoir (energy/time units)</li>
-<li>zero or more keyword/value pairs may be appended to args</li>
-<li>keyword = <em>region</em> or <em>constrain</em> or <em>com</em> or <em>hex</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">ehex = style name of this fix command</p>
+</li>
+<li><p class="first">nevery = add/subtract heat every this many timesteps</p>
+</li>
+<li><p class="first">F = energy flux into the reservoir (energy/time units)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended to args</p>
+</li>
+<li><p class="first">keyword = <em>region</em> or <em>constrain</em> or <em>com</em> or <em>hex</em></p>
<pre class="literal-block">
<em>region</em> value = region-ID
region-ID = ID of region (reservoir) atoms must be in for added thermostatting force
@@ -149,6 +393,8 @@
<em>hex</em> value = none
omit the coordinate correction to recover the HEX algorithm
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -290,6 +536,15 @@ was built with that package. See the <a class="reference internal" href="Sectio
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_enforce2d.html" class="btn btn-neutral float-right" title="fix enforce2d command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_efield.html" class="btn btn-neutral" title="fix efield command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_enforce2d.html b/doc/html/fix_enforce2d.html
index 15595d17b346df05a2ed99cb90de6c080e49bf1f..bbd513482573f346125d059f4aa9eb7f25bbc60c 100644
--- a/doc/html/fix_enforce2d.html
+++ b/doc/html/fix_enforce2d.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix eos/cv command" href="fix_eos_cv.html"/>
+ <link rel="prev" title="fix ehex command" href="fix_ehex.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,230 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix enforce2d command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +337,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix enforce2d command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +350,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_eos_cv.html" class="btn btn-neutral float-right" title="fix eos/cv command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ehex.html" class="btn btn-neutral" title="fix ehex command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -151,7 +390,7 @@ not move from their initial z coordinate.</p>
<p>Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
-<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual. The
+<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual. The
accelerated styles take the same arguments and should produce the same
results, except for round-off and precision issues.</p>
<p>These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
@@ -160,7 +399,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -185,6 +424,15 @@ invoked by the <a class="reference internal" href="minimize.html"><span class="d
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_eos_cv.html" class="btn btn-neutral float-right" title="fix eos/cv command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ehex.html" class="btn btn-neutral" title="fix ehex command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_eos_cv.html b/doc/html/fix_eos_cv.html
index ccc917df548695d30e53f89ab39a9f238bac35d6..4e77d1a50d5c0deb5f8b7d743c0d6262721ca4bc 100644
--- a/doc/html/fix_eos_cv.html
+++ b/doc/html/fix_eos_cv.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix eos/table command" href="fix_eos_table.html"/>
+ <link rel="prev" title="fix enforce2d command" href="fix_enforce2d.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix eos/cv command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix eos/cv command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_eos_table.html" class="btn btn-neutral float-right" title="fix eos/table command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_enforce2d.html" class="btn btn-neutral" title="fix enforce2d command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -180,6 +420,15 @@ Laboratory, Aberdeen Proving Ground, MD (2014).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_eos_table.html" class="btn btn-neutral float-right" title="fix eos/table command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_enforce2d.html" class="btn btn-neutral" title="fix enforce2d command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_eos_table.html b/doc/html/fix_eos_table.html
index 91f10fe8545d09a99c67913eea59b3ec9f797a5b..ca7e48c67b918f93f730cfb108b63f3f2bcde932 100644
--- a/doc/html/fix_eos_table.html
+++ b/doc/html/fix_eos_table.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix eos/table/rx command" href="fix_eos_table_rx.html"/>
+ <link rel="prev" title="fix eos/cv command" href="fix_eos_cv.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix eos/table command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix eos/table command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_eos_table_rx.html" class="btn btn-neutral float-right" title="fix eos/table/rx command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_eos_cv.html" class="btn btn-neutral" title="fix eos/cv command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -230,6 +470,15 @@ are not within the table cutoffs.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_eos_table_rx.html" class="btn btn-neutral float-right" title="fix eos/table/rx command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_eos_cv.html" class="btn btn-neutral" title="fix eos/cv command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_eos_table_rx.html b/doc/html/fix_eos_table_rx.html
index 49f1a58f76c5542f59bb58d25209dc41411e2323..e1f7bfd7101e050b03e7c99ba8abd0332758807a 100644
--- a/doc/html/fix_eos_table_rx.html
+++ b/doc/html/fix_eos_table_rx.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix evaporate command" href="fix_evaporate.html"/>
+ <link rel="prev" title="fix eos/table command" href="fix_eos_table.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix eos/table/rx command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix eos/table/rx command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_evaporate.html" class="btn btn-neutral float-right" title="fix evaporate command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_eos_table.html" class="btn btn-neutral" title="fix eos/table command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -253,6 +493,15 @@ are not within the table cutoffs.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_evaporate.html" class="btn btn-neutral float-right" title="fix evaporate command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_eos_table.html" class="btn btn-neutral" title="fix eos/table command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_evaporate.html b/doc/html/fix_evaporate.html
index 929f36c037b90ad5998e62eefae77db1eae63566..6401874be7c73dba3fa7f5530cdb52aa5b737df5 100644
--- a/doc/html/fix_evaporate.html
+++ b/doc/html/fix_evaporate.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix external command" href="fix_external.html"/>
+ <link rel="prev" title="fix eos/table/rx command" href="fix_eos_table_rx.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix evaporate command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix evaporate command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_external.html" class="btn btn-neutral float-right" title="fix external command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_eos_table_rx.html" class="btn btn-neutral" title="fix eos/table/rx command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,19 +372,26 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">evaporate</span> <span class="n">N</span> <span class="n">M</span> <span class="n">region</span><span class="o">-</span><span class="n">ID</span> <span class="n">seed</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>evaporate = style name of this fix command</li>
-<li>N = delete atoms every this many timesteps</li>
-<li>M = number of atoms to delete each time</li>
-<li>region-ID = ID of region within which to perform deletions</li>
-<li>seed = random number seed to use for choosing atoms to delete</li>
-<li>zero or more keyword/value pairs may be appended</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">evaporate = style name of this fix command</p>
+</li>
+<li><p class="first">N = delete atoms every this many timesteps</p>
+</li>
+<li><p class="first">M = number of atoms to delete each time</p>
+</li>
+<li><p class="first">region-ID = ID of region within which to perform deletions</p>
+</li>
+<li><p class="first">seed = random number seed to use for choosing atoms to delete</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
<pre class="literal-block">
keyword = <em>molecule</em>
<em>molecule</em> value = <em>no</em> or <em>yes</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -217,6 +465,15 @@ was built with that package. See the <a class="reference internal" href="Sectio
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_external.html" class="btn btn-neutral float-right" title="fix external command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_eos_table_rx.html" class="btn btn-neutral" title="fix eos/table/rx command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_external.html b/doc/html/fix_external.html
index 264a4cf9ba8e61a5d25f7450d19cfa8cd0920a8a..57554736116c73502e9eb0f92ac34ca179ac8643 100644
--- a/doc/html/fix_external.html
+++ b/doc/html/fix_external.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix flow/gauss command" href="fix_flow_gauss.html"/>
+ <link rel="prev" title="fix evaporate command" href="fix_evaporate.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,230 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix external command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +337,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix external command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +350,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_flow_gauss.html" class="btn btn-neutral float-right" title="fix flow/gauss command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_evaporate.html" class="btn btn-neutral" title="fix evaporate command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,11 +370,12 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">external</span> <span class="n">mode</span> <span class="n">args</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>external = style name of this fix command</li>
-<li>mode = <em>pf/callback</em> or <em>pf/array</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">external = style name of this fix command</p>
+</li>
+<li><p class="first">mode = <em>pf/callback</em> or <em>pf/array</em></p>
<pre class="literal-block">
<em>pf/callback</em> args = Ncall Napply
Ncall = make callback every Ncall steps
@@ -143,6 +383,8 @@
<em>pf/array</em> args = Napply
Napply = apply array forces every Napply steps
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -260,6 +502,15 @@ system (the quantity being minimized), you MUST enable the
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_flow_gauss.html" class="btn btn-neutral float-right" title="fix flow/gauss command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_evaporate.html" class="btn btn-neutral" title="fix evaporate command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_flow_gauss.html b/doc/html/fix_flow_gauss.html
index 7c5defac59ecc001de26249989ef1bc577f2d527..20e7ca930e5433ee479bcd45f13638d60865fe72 100644
--- a/doc/html/fix_flow_gauss.html
+++ b/doc/html/fix_flow_gauss.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix freeze command" href="fix_freeze.html"/>
+ <link rel="prev" title="fix external command" href="fix_external.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix flow/gauss command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix flow/gauss command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_freeze.html" class="btn btn-neutral float-right" title="fix freeze command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_external.html" class="btn btn-neutral" title="fix external command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,24 +372,27 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">flow</span><span class="o">/</span><span class="n">gauss</span> <span class="n">xflag</span> <span class="n">yflag</span> <span class="n">zflag</span> <span class="n">keyword</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>flow/gauss = style name of this fix command</li>
-<li>xflag,yflag,zflag = 0 or 1</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">flow/gauss = style name of this fix command</p>
+</li>
+<li><p class="first">xflag,yflag,zflag = 0 or 1</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="mi">0</span> <span class="o">=</span> <span class="n">do</span> <span class="ow">not</span> <span class="n">conserve</span> <span class="n">current</span> <span class="ow">in</span> <span class="n">this</span> <span class="n">dimension</span>
<span class="mi">1</span> <span class="o">=</span> <span class="n">conserve</span> <span class="n">current</span> <span class="ow">in</span> <span class="n">this</span> <span class="n">dimension</span>
</pre></div>
</div>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>energy</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>energy</em></p>
<pre class="literal-block">
<em>energy</em> value = no or yes
no = do not compute work done by this fix
yes = compute work done by this fix
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -259,6 +503,15 @@ the <a class="reference internal" href="run.html"><span class="doc">run</span></
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_freeze.html" class="btn btn-neutral float-right" title="fix freeze command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_external.html" class="btn btn-neutral" title="fix external command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_freeze.html b/doc/html/fix_freeze.html
index 66a6cb16297d288f1b9984a219d6edf0e3ae929d..a4c0e5441865b12852a217195bc17e2693a6c2d0 100644
--- a/doc/html/fix_freeze.html
+++ b/doc/html/fix_freeze.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix gcmc command" href="fix_gcmc.html"/>
+ <link rel="prev" title="fix flow/gauss command" href="fix_flow_gauss.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix freeze command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix freeze command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_gcmc.html" class="btn btn-neutral float-right" title="fix gcmc command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_flow_gauss.html" class="btn btn-neutral" title="fix flow/gauss command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -155,7 +395,7 @@ using <a class="reference internal" href="fix_setforce.html"><span class="doc">f
<p>Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
-<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual. The
+<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual. The
accelerated styles take the same arguments and should produce the same
results, except for round-off and precision issues.</p>
<p>These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
@@ -164,7 +404,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -199,6 +439,15 @@ this fix is applied.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_gcmc.html" class="btn btn-neutral float-right" title="fix gcmc command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_flow_gauss.html" class="btn btn-neutral" title="fix flow/gauss command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_gcmc.html b/doc/html/fix_gcmc.html
index 2210a5c5c4133b9122ecc651bd9e652a28a32b2c..e35361097281e86b47e90442bdc4c24eda1b3a1b 100644
--- a/doc/html/fix_gcmc.html
+++ b/doc/html/fix_gcmc.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix gld command" href="fix_gld.html"/>
+ <link rel="prev" title="fix freeze command" href="fix_freeze.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix gcmc command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix gcmc command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_gld.html" class="btn btn-neutral float-right" title="fix gld command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_freeze.html" class="btn btn-neutral" title="fix freeze command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,19 +372,28 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">gcmc</span> <span class="n">N</span> <span class="n">X</span> <span class="n">M</span> <span class="nb">type</span> <span class="n">seed</span> <span class="n">T</span> <span class="n">mu</span> <span class="n">displace</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>gcmc = style name of this fix command</li>
-<li>N = invoke this fix every N steps</li>
-<li>X = average number of GCMC exchanges to attempt every N steps</li>
-<li>M = average number of MC moves to attempt every N steps</li>
-<li>type = atom type for inserted atoms (must be 0 if mol keyword used)</li>
-<li>seed = random # seed (positive integer)</li>
-<li>T = temperature of the ideal gas reservoir (temperature units)</li>
-<li>mu = chemical potential of the ideal gas reservoir (energy units)</li>
-<li>translate = maximum Monte Carlo translation distance (length units)</li>
-<li>zero or more keyword/value pairs may be appended to args</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">gcmc = style name of this fix command</p>
+</li>
+<li><p class="first">N = invoke this fix every N steps</p>
+</li>
+<li><p class="first">X = average number of GCMC exchanges to attempt every N steps</p>
+</li>
+<li><p class="first">M = average number of MC moves to attempt every N steps</p>
+</li>
+<li><p class="first">type = atom type for inserted atoms (must be 0 if mol keyword used)</p>
+</li>
+<li><p class="first">seed = random # seed (positive integer)</p>
+</li>
+<li><p class="first">T = temperature of the ideal gas reservoir (temperature units)</p>
+</li>
+<li><p class="first">mu = chemical potential of the ideal gas reservoir (energy units)</p>
+</li>
+<li><p class="first">translate = maximum Monte Carlo translation distance (length units)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended to args</p>
<pre class="literal-block">
keyword = <em>mol</em>, <em>region</em>, <em>maxangle</em>, <em>pressure</em>, <em>fugacity_coeff</em>, <em>full_energy</em>, <em>charge</em>, <em>group</em>, <em>grouptype</em>, <em>intra_energy</em>, or <em>tfac_insert</em>
<em>mol</em> value = template-ID
@@ -165,6 +415,8 @@ keyword = <em>mol</em>, <em>region</em>, <em>maxangle</em>, <em>pressure</em>, <
<em>intra_energy</em> value = intramolecular energy (energy units)
<em>tfac_insert</em> value = scale up/down temperature of inserted atoms (unitless)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -446,6 +698,15 @@ Academic Press, London, 2002.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_gld.html" class="btn btn-neutral float-right" title="fix gld command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_freeze.html" class="btn btn-neutral" title="fix freeze command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_gld.html b/doc/html/fix_gld.html
index 96beaab03f5804d124be1a922e53171ca8fe5343..4a5cb8e650b6bb3670b4c74dac74546e4013a08a 100644
--- a/doc/html/fix_gld.html
+++ b/doc/html/fix_gld.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix gle command" href="fix_gle.html"/>
+ <link rel="prev" title="fix gcmc command" href="fix_gcmc.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix gld command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix gld command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_gle.html" class="btn btn-neutral float-right" title="fix gle command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_gcmc.html" class="btn btn-neutral" title="fix gcmc command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,17 +372,24 @@
<pre class="literal-block">
fix ID group-ID gld Tstart Tstop N_k seed series c_1 tau_1 ... c_N_k tau_N_k keyword values ...
</pre>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>gld = style name of this fix command</li>
-<li>Tstart,Tstop = desired temperature at start/end of run (temperature units)</li>
-<li>N_k = number of terms in the Prony series representation of the memory kernel</li>
-<li>seed = random number seed to use for white noise (positive integer)</li>
-<li>series = <em>pprony</em> is presently the only available option</li>
-<li>c_k = the weight of the kth term in the Prony series (mass per time units)</li>
-<li>tau_k = the time constant of the kth term in the Prony series (time units)</li>
-<li>zero or more keyword/value pairs may be appended</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">gld = style name of this fix command</p>
+</li>
+<li><p class="first">Tstart,Tstop = desired temperature at start/end of run (temperature units)</p>
+</li>
+<li><p class="first">N_k = number of terms in the Prony series representation of the memory kernel</p>
+</li>
+<li><p class="first">seed = random number seed to use for white noise (positive integer)</p>
+</li>
+<li><p class="first">series = <em>pprony</em> is presently the only available option</p>
+</li>
+<li><p class="first">c_k = the weight of the kth term in the Prony series (mass per time units)</p>
+</li>
+<li><p class="first">tau_k = the time constant of the kth term in the Prony series (time units)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
<pre class="literal-block">
keyword = <em>frozen</em> or <em>zero</em>
<em>frozen</em> value = <em>no</em> or <em>yes</em>
@@ -151,6 +399,8 @@ keyword = <em>frozen</em> or <em>zero</em>
<em>no</em> = do not set total random force to zero
<em>yes</em> = set total random force to zero
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -263,6 +513,15 @@ was built with that package. See the <a class="reference internal" href="Sectio
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_gle.html" class="btn btn-neutral float-right" title="fix gle command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_gcmc.html" class="btn btn-neutral" title="fix gcmc command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_gle.html b/doc/html/fix_gle.html
index e51ed41bf37d73e297cc621ee3fecafb163e3f6d..1d57e088a2946884d9a0502a464f89cfe3c16ff0 100644
--- a/doc/html/fix_gle.html
+++ b/doc/html/fix_gle.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix gravity command" href="fix_gravity.html"/>
+ <link rel="prev" title="fix gld command" href="fix_gld.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix gle command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix gle command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_gravity.html" class="btn btn-neutral float-right" title="fix gravity command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_gld.html" class="btn btn-neutral" title="fix gld command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,29 +371,36 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="nb">id</span><span class="o">-</span><span class="n">group</span> <span class="n">gle</span> <span class="n">Ns</span> <span class="n">Tstart</span> <span class="n">Tstop</span> <span class="n">seed</span> <span class="n">Amatrix</span> <span class="p">[</span><span class="n">noneq</span> <span class="n">Cmatrix</span><span class="p">]</span> <span class="p">[</span><span class="n">every</span> <span class="n">stride</span><span class="p">]</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>gle = style name of this fix command</li>
-<li>Ns = number of additional fictitious momenta</li>
-<li>Tstart, Tstop = temperature ramp during the run</li>
-<li>Amatrix = file to read the drift matrix A from</li>
-<li>seed = random number seed to use for generating noise (positive integer)</li>
-<li>zero or more keyword/value pairs may be appended</li>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">gle = style name of this fix command</p>
+</li>
+<li><p class="first">Ns = number of additional fictitious momenta</p>
+</li>
+<li><p class="first">Tstart, Tstop = temperature ramp during the run</p>
+</li>
+<li><p class="first">Amatrix = file to read the drift matrix A from</p>
+</li>
+<li><p class="first">seed = random number seed to use for generating noise (positive integer)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+<pre class="literal-block">
+keyword = <em>noneq</em> or <em>every</em>
+ <em>noneq</em> Cmatrix = file to read the non-equilibrium covariance matrix from
+ <em>every</em> stride = apply the GLE once every time steps. Reduces the accuracy
+ of the integration of the GLE, but has *no effect* on the accuracy of equilibrium
+ sampling. It might change sampling properties when used together with <em>noneq</em>.
+</pre>
+</li>
</ul>
-<dl class="docutils">
-<dt>keyword = <em>noneq</em> and/or <em>every</em></dt>
-<dd><p class="first"><em>noneq</em> Cmatrix = file to read the non-equilibrium covariance matrix from
-<em>every</em> stride = apply the GLE once every time steps. Reduces the accuracy</p>
-<blockquote class="last">
-<div>of the integration of the GLE, but has *no effect* on the accuracy of equilibrium
-sampling. It might change sampling properties when used together with <em>noneq</em>.</div></blockquote>
-</dd>
-</dl>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
-<p>fix 3 boundary gle 6 300 300 31415 smart.A
-fix 1 all gle 6 300 300 31415 qt-300k.A noneq qt-300k.C</p>
+<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="mi">3</span> <span class="n">boundary</span> <span class="n">gle</span> <span class="mi">6</span> <span class="mi">300</span> <span class="mi">300</span> <span class="mi">31415</span> <span class="n">smart</span><span class="o">.</span><span class="n">A</span>
+<span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">gle</span> <span class="mi">6</span> <span class="mi">300</span> <span class="mi">300</span> <span class="mi">31415</span> <span class="n">qt</span><span class="o">-</span><span class="mi">300</span><span class="n">k</span><span class="o">.</span><span class="n">A</span> <span class="n">noneq</span> <span class="n">qt</span><span class="o">-</span><span class="mi">300</span><span class="n">k</span><span class="o">.</span><span class="n">C</span>
+</pre></div>
+</div>
</div>
<div class="section" id="description">
<h2>Description</h2>
@@ -169,8 +416,10 @@ on the same atom groups.</p>
<p>Each degree of freedom in the thermostatted group is supplemented
with Ns additional degrees of freedom s, and the equations of motion
become</p>
-<p>dq/dt=p/m
-d(p,s)/dt=(F,0) - A(p,s) + B dW/dt</p>
+<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">dq</span><span class="o">/</span><span class="n">dt</span><span class="o">=</span><span class="n">p</span><span class="o">/</span><span class="n">m</span>
+<span class="n">d</span><span class="p">(</span><span class="n">p</span><span class="p">,</span><span class="n">s</span><span class="p">)</span><span class="o">/</span><span class="n">dt</span><span class="o">=</span><span class="p">(</span><span class="n">F</span><span class="p">,</span><span class="mi">0</span><span class="p">)</span> <span class="o">-</span> <span class="n">A</span><span class="p">(</span><span class="n">p</span><span class="p">,</span><span class="n">s</span><span class="p">)</span> <span class="o">+</span> <span class="n">B</span> <span class="n">dW</span><span class="o">/</span><span class="n">dt</span>
+</pre></div>
+</div>
<p>where F is the physical force, A is the drift matrix (that generalizes
the friction in Langevin dynamics), B is the diffusion term and dW/dt
un-correlated Gaussian random forces. The A matrix couples the physical
@@ -259,6 +508,15 @@ was built with that package. See the <a class="reference internal" href="Sectio
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_gravity.html" class="btn btn-neutral float-right" title="fix gravity command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_gld.html" class="btn btn-neutral" title="fix gld command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_gravity.html b/doc/html/fix_gravity.html
index f10e0f3416499113dcfe901e0f257d35322f1fe6..2bcd6fab204f1813906f5ae9d8a58e8e6f43f123 100644
--- a/doc/html/fix_gravity.html
+++ b/doc/html/fix_gravity.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix heat command" href="fix_heat.html"/>
+ <link rel="prev" title="fix gle command" href="fix_gle.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-gravity-omp-command">fix gravity/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix gravity command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_heat.html" class="btn btn-neutral float-right" title="fix heat command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_gle.html" class="btn btn-neutral" title="fix gle command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -134,13 +374,16 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span> <span class="n">gravity</span> <span class="n">magnitude</span> <span class="n">style</span> <span class="n">args</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>gravity = style name of this fix command</li>
-<li>magnitude = size of acceleration (force/mass units)</li>
-<li>magnitude can be a variable (see below)</li>
-<li>style = <em>chute</em> or <em>spherical</em> or <em>gradient</em> or <em>vector</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">gravity = style name of this fix command</p>
+</li>
+<li><p class="first">magnitude = size of acceleration (force/mass units)</p>
+</li>
+<li><p class="first">magnitude can be a variable (see below)</p>
+</li>
+<li><p class="first">style = <em>chute</em> or <em>spherical</em> or <em>gradient</em> or <em>vector</em></p>
<pre class="literal-block">
<em>chute</em> args = angle
angle = angle in +x away from -z or -y axis in 3d/2d (in degrees)
@@ -153,6 +396,8 @@
x y z = vector direction to apply the acceleration
x or y or z can be a variable (see below)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -208,7 +453,7 @@ field.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -218,7 +463,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -255,6 +500,15 @@ the <a class="reference internal" href="run.html"><span class="doc">run</span></
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_heat.html" class="btn btn-neutral float-right" title="fix heat command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_gle.html" class="btn btn-neutral" title="fix gle command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_heat.html b/doc/html/fix_heat.html
index 2e88845d314e1c8bfe1957a4d4117f54ae2af614..2411f2b5a8fd019be6f60aba092345d58c002d48 100644
--- a/doc/html/fix_heat.html
+++ b/doc/html/fix_heat.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix imd command" href="fix_imd.html"/>
+ <link rel="prev" title="fix gravity command" href="fix_gravity.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix heat command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix heat command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_imd.html" class="btn btn-neutral float-right" title="fix imd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_gravity.html" class="btn btn-neutral" title="fix gravity command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,19 +371,26 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">heat</span> <span class="n">N</span> <span class="n">eflux</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>heat = style name of this fix command</li>
-<li>N = add/subtract heat every this many timesteps</li>
-<li>eflux = rate of heat addition or subtraction (energy/time units)</li>
-<li>eflux can be a variable (see below)</li>
-<li>zero or more keyword/value pairs may be appended to args</li>
-<li>keyword = <em>region</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">heat = style name of this fix command</p>
+</li>
+<li><p class="first">N = add/subtract heat every this many timesteps</p>
+</li>
+<li><p class="first">eflux = rate of heat addition or subtraction (energy/time units)</p>
+</li>
+<li><p class="first">eflux can be a variable (see below)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended to args</p>
+</li>
+<li><p class="first">keyword = <em>region</em></p>
<pre class="literal-block">
<em>region</em> value = region-ID
region-ID = ID of region atoms must be in to have added force
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -249,6 +496,15 @@ the <a class="reference internal" href="run.html"><span class="doc">run</span></
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_imd.html" class="btn btn-neutral float-right" title="fix imd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_gravity.html" class="btn btn-neutral" title="fix gravity command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_imd.html b/doc/html/fix_imd.html
index 3245c8523dcf1848d60a42020190f1ee732114b8..60ffb0e6a39bb3f9e508488ebdbde7a2045f79cf 100644
--- a/doc/html/fix_imd.html
+++ b/doc/html/fix_imd.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix indent command" href="fix_indent.html"/>
+ <link rel="prev" title="fix heat command" href="fix_heat.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,230 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix imd command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +337,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix imd command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +350,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_indent.html" class="btn btn-neutral float-right" title="fix indent command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_heat.html" class="btn btn-neutral" title="fix heat command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +370,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">imd</span> <span class="n">trate</span> <span class="n">port</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>imd = style name of this fix command</li>
-<li>port = port number on which the fix listens for an IMD client</li>
-<li>keyword = <em>unwrap</em> or <em>fscale</em> or <em>trate</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">imd = style name of this fix command</p>
+</li>
+<li><p class="first">port = port number on which the fix listens for an IMD client</p>
+</li>
+<li><p class="first">keyword = <em>unwrap</em> or <em>fscale</em> or <em>trate</em></p>
<pre class="literal-block">
<em>unwrap</em> arg = <em>on</em> or <em>off</em>
off = coordinates are wrapped back into the principal unit cell (default)
@@ -148,6 +389,8 @@
off = LAMMPS waits to be connected to an IMD client before continuing (default)
on = LAMMPS listens for an IMD client, but continues with the run
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -265,6 +508,15 @@ needs to use a different port number.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_indent.html" class="btn btn-neutral float-right" title="fix indent command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_heat.html" class="btn btn-neutral" title="fix heat command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_indent.html b/doc/html/fix_indent.html
index 92dafa1af50b7a3b7c0724e4ca6ad5c3c9f94272..2b7d4491c04d733e86facba7756ec1f8518961d0 100644
--- a/doc/html/fix_indent.html
+++ b/doc/html/fix_indent.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix ipi command" href="fix_ipi.html"/>
+ <link rel="prev" title="fix imd command" href="fix_imd.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix indent command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix indent command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ipi.html" class="btn btn-neutral float-right" title="fix ipi command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_imd.html" class="btn btn-neutral" title="fix imd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,13 +371,16 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">indent</span> <span class="n">K</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>indent = style name of this fix command</li>
-<li>K = force constant for indenter surface (force/distance^2 units)</li>
-<li>one or more keyword/value pairs may be appended</li>
-<li>keyword = <em>sphere</em> or <em>cylinder</em> or <em>plane</em> or <em>side</em> or <em>units</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">indent = style name of this fix command</p>
+</li>
+<li><p class="first">K = force constant for indenter surface (force/distance^2 units)</p>
+</li>
+<li><p class="first">one or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>sphere</em> or <em>cylinder</em> or <em>plane</em> or <em>side</em> or <em>units</em></p>
<pre class="literal-block">
<em>sphere</em> args = x y z R
x,y,z = initial position of center of indenter (distance units)
@@ -160,6 +403,8 @@
lattice = the geometry is defined in lattice units
box = the geometry is defined in simulation box units
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -319,6 +564,15 @@ option for this fix.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ipi.html" class="btn btn-neutral float-right" title="fix ipi command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_imd.html" class="btn btn-neutral" title="fix imd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_ipi.html b/doc/html/fix_ipi.html
index 40917601b7d1ecf09e5e80a12111c6e572489753..24641faa185f5c20c5470bcc811bdc724e7417e5 100644
--- a/doc/html/fix_ipi.html
+++ b/doc/html/fix_ipi.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix langevin command" href="fix_langevin.html"/>
+ <link rel="prev" title="fix indent command" href="fix_indent.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix ipi command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix ipi command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_langevin.html" class="btn btn-neutral float-right" title="fix langevin command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_indent.html" class="btn btn-neutral" title="fix indent command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -147,7 +387,7 @@ fix 1 all ipi mysocket 666 unix</p>
<div class="section" id="description">
<h2>Description</h2>
<p>This fix enables LAMMPS to be run as a client for the i-PI Python
-wrapper <a class="reference internal" href="#ipi"><span class="std std-ref">(IPI)</span></a> for performing a path integral molecular dynamics
+wrapper <a class="reference internal" href="#ipihome"><span class="std std-ref">(IPI)</span></a> for performing a path integral molecular dynamics
(PIMD) simulation. The philosophy behind i-PI is described in the
following publication <a class="reference internal" href="#ipicpc"><span class="std std-ref">(IPI-CPC)</span></a>.</p>
<p>A version of the i-PI package, containing only files needed for use
@@ -195,7 +435,7 @@ environment.</p>
<hr class="docutils" />
<p id="ipicpc"><strong>(IPI-CPC)</strong> Ceriotti, More and Manolopoulos, Comp Phys Comm, 185,
1019-1026 (2014).</p>
-<p id="ipi"><strong>(IPI)</strong>
+<p id="ipihome"><strong>(IPI)</strong>
<a class="reference external" href="http://epfl-cosmo.github.io/gle4md/index.html?page=ipi">http://epfl-cosmo.github.io/gle4md/index.html?page=ipi</a></p>
</div>
</div>
@@ -205,6 +445,15 @@ environment.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_langevin.html" class="btn btn-neutral float-right" title="fix langevin command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_indent.html" class="btn btn-neutral" title="fix indent command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_langevin.html b/doc/html/fix_langevin.html
index bf67a0e983a2ef8f1f3c23a4b9214464c776b1f1..0b27dd91a16c76baefb3896716642914816fb29a 100644
--- a/doc/html/fix_langevin.html
+++ b/doc/html/fix_langevin.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix langevin/drude command" href="fix_langevin_drude.html"/>
+ <link rel="prev" title="fix ipi command" href="fix_ipi.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-langevin-kk-command">fix langevin/kk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix langevin command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_langevin_drude.html" class="btn btn-neutral float-right" title="fix langevin/drude command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ipi.html" class="btn btn-neutral" title="fix ipi command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -134,16 +375,22 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">langevin</span> <span class="n">Tstart</span> <span class="n">Tstop</span> <span class="n">damp</span> <span class="n">seed</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>langevin = style name of this fix command</li>
-<li>Tstart,Tstop = desired temperature at start/end of run (temperature units)</li>
-<li>Tstart can be a variable (see below)</li>
-<li>damp = damping parameter (time units)</li>
-<li>seed = random number seed to use for white noise (positive integer)</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>angmom</em> or <em>omega</em> or <em>scale</em> or <em>tally</em> or <em>zero</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">langevin = style name of this fix command</p>
+</li>
+<li><p class="first">Tstart,Tstop = desired temperature at start/end of run (temperature units)</p>
+</li>
+<li><p class="first">Tstart can be a variable (see below)</p>
+</li>
+<li><p class="first">damp = damping parameter (time units)</p>
+</li>
+<li><p class="first">seed = random number seed to use for white noise (positive integer)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>angmom</em> or <em>omega</em> or <em>scale</em> or <em>tally</em> or <em>zero</em></p>
<pre class="literal-block">
<em>angmom</em> value = <em>no</em> or factor
<em>no</em> = do not thermostat rotational degrees of freedom via the angular momentum
@@ -164,6 +411,8 @@
<em>no</em> = do not set total random force to zero
<em>yes</em> = set total random force to zero
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -363,7 +612,7 @@ generates an average temperature of 220 K, instead of 300 K.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -373,7 +622,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -428,6 +677,15 @@ types, tally = no, zero = no, gjf = no.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_langevin_drude.html" class="btn btn-neutral float-right" title="fix langevin/drude command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ipi.html" class="btn btn-neutral" title="fix ipi command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_langevin_drude.html b/doc/html/fix_langevin_drude.html
index ea9f9510a0348b9f103472a2a75b65916b7e951b..efc3d015743693985f048e32ea00fd357f63552a 100644
--- a/doc/html/fix_langevin_drude.html
+++ b/doc/html/fix_langevin_drude.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix langevin/eff command" href="fix_langevin_eff.html"/>
+ <link rel="prev" title="fix langevin command" href="fix_langevin.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix langevin/drude command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix langevin/drude command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_langevin_eff.html" class="btn btn-neutral float-right" title="fix langevin/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_langevin.html" class="btn btn-neutral" title="fix langevin command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,23 +372,33 @@
<pre class="literal-block">
fix ID group-ID langevin/drude Tcom damp_com seed_com Tdrude damp_drude seed_drude keyword values ...
</pre>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>langevin/drude = style name of this fix command</li>
-<li>Tcom = desired temperature of the centers of mass (temperature units)</li>
-<li>damp_com = damping parameter for the thermostat on centers of mass (time units)</li>
-<li>seed_com = random number seed to use for white noise of the thermostat on centers of mass (positive integer)</li>
-<li>Tdrude = desired temperature of the Drude oscillators (temperature units)</li>
-<li>damp_drude = damping parameter for the thermostat on Drude oscillators (time units)</li>
-<li>seed_drude = random number seed to use for white noise of the thermostat on Drude oscillators (positive integer)</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>zero</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">langevin/drude = style name of this fix command</p>
+</li>
+<li><p class="first">Tcom = desired temperature of the centers of mass (temperature units)</p>
+</li>
+<li><p class="first">damp_com = damping parameter for the thermostat on centers of mass (time units)</p>
+</li>
+<li><p class="first">seed_com = random number seed to use for white noise of the thermostat on centers of mass (positive integer)</p>
+</li>
+<li><p class="first">Tdrude = desired temperature of the Drude oscillators (temperature units)</p>
+</li>
+<li><p class="first">damp_drude = damping parameter for the thermostat on Drude oscillators (time units)</p>
+</li>
+<li><p class="first">seed_drude = random number seed to use for white noise of the thermostat on Drude oscillators (positive integer)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>zero</em></p>
<pre class="literal-block">
<em>zero</em> value = <em>no</em> or <em>yes</em>
<em>no</em> = do not set total random force on centers of mass to zero
<em>yes</em> = set total random force on centers of mass to zero
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -373,6 +624,15 @@ Phys Chem Lett, 2, 87-92 (2011).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_langevin_eff.html" class="btn btn-neutral float-right" title="fix langevin/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_langevin.html" class="btn btn-neutral" title="fix langevin command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_langevin_eff.html b/doc/html/fix_langevin_eff.html
index dea014ff7bbf7d6aa380c10cda59ad9ae0f86970..1350637ebdc36753ca5d4e1f6c6c7008c3dda6b8 100644
--- a/doc/html/fix_langevin_eff.html
+++ b/doc/html/fix_langevin_eff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix lb/fluid command" href="fix_lb_fluid.html"/>
+ <link rel="prev" title="fix langevin/drude command" href="fix_langevin_drude.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix langevin/eff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix langevin/eff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_lb_fluid.html" class="btn btn-neutral float-right" title="fix lb/fluid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_langevin_drude.html" class="btn btn-neutral" title="fix langevin/drude command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,14 +372,18 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">langevin</span><span class="o">/</span><span class="n">eff</span> <span class="n">Tstart</span> <span class="n">Tstop</span> <span class="n">damp</span> <span class="n">seed</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>langevin/eff = style name of this fix command</li>
-<li>Tstart,Tstop = desired temperature at start/end of run (temperature units)</li>
-<li>damp = damping parameter (time units)</li>
-<li>seed = random number seed to use for white noise (positive integer)</li>
-<li>zero or more keyword/value pairs may be appended</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">langevin/eff = style name of this fix command</p>
+</li>
+<li><p class="first">Tstart,Tstop = desired temperature at start/end of run (temperature units)</p>
+</li>
+<li><p class="first">damp = damping parameter (time units)</p>
+</li>
+<li><p class="first">seed = random number seed to use for white noise (positive integer)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
<pre class="literal-block">
keyword = <em>scale</em> or <em>tally</em> or <em>zero</em>
<em>scale</em> values = type ratio
@@ -153,6 +398,8 @@ keyword = <em>scale</em> or <em>tally</em> or <em>zero</em>
<em>no</em> = do not set total random force to zero
<em>yes</em> = set total random force to zero
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -228,6 +475,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_lb_fluid.html" class="btn btn-neutral float-right" title="fix lb/fluid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_langevin_drude.html" class="btn btn-neutral" title="fix langevin/drude command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_lb_fluid.html b/doc/html/fix_lb_fluid.html
index fadee5ceb3e1624926d78aeedc0d28cd8b9701d9..d3d4f63a2ebedd17ddd90e9bc40b4ff31c766e71 100644
--- a/doc/html/fix_lb_fluid.html
+++ b/doc/html/fix_lb_fluid.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix lb/momentum command" href="fix_lb_momentum.html"/>
+ <link rel="prev" title="fix langevin/eff command" href="fix_langevin_eff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix lb/fluid command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix lb/fluid command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_lb_momentum.html" class="btn btn-neutral float-right" title="fix lb/momentum command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_langevin_eff.html" class="btn btn-neutral" title="fix langevin/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,17 +372,23 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">lb</span><span class="o">/</span><span class="n">fluid</span> <span class="n">nevery</span> <span class="n">LBtype</span> <span class="n">viscosity</span> <span class="n">density</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>lb/fluid = style name of this fix command</li>
-<li>nevery = update the lattice-Boltzmann fluid every this many timesteps</li>
-<li>LBtype = 1 to use the standard finite difference LB integrator,
-2 to use the LB integrator of <a class="reference internal" href="#ollila"><span class="std std-ref">Ollila et al.</span></a></li>
-<li>viscosity = the fluid viscosity (units of mass/(time*length)).</li>
-<li>density = the fluid density.</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>setArea</em> or <em>setGamma</em> or <em>scaleGamma</em> or <em>dx</em> or <em>dm</em> or <em>a0</em> or <em>noise</em> or <em>calcforce</em> or <em>trilinear</em> or <em>D3Q19</em> or <em>read_restart</em> or <em>write_restart</em> or <em>zwall_velocity</em> or <em>bodyforce</em> or <em>printfluid</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">lb/fluid = style name of this fix command</p>
+</li>
+<li><p class="first">nevery = update the lattice-Boltzmann fluid every this many timesteps</p>
+</li>
+<li><p class="first">LBtype = 1 to use the standard finite difference LB integrator,
+2 to use the LB integrator of <a class="reference internal" href="#ollila"><span class="std std-ref">Ollila et al.</span></a></p>
+</li>
+<li><p class="first">viscosity = the fluid viscosity (units of mass/(time*length)).</p>
+</li>
+<li><p class="first">density = the fluid density.</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>setArea</em> or <em>setGamma</em> or <em>scaleGamma</em> or <em>dx</em> or <em>dm</em> or <em>a0</em> or <em>noise</em> or <em>calcforce</em> or <em>trilinear</em> or <em>D3Q19</em> or <em>read_restart</em> or <em>write_restart</em> or <em>zwall_velocity</em> or <em>bodyforce</em> or <em>printfluid</em></p>
<pre class="literal-block">
<em>setArea</em> values = type node_area
type = atom type (1-N)
@@ -168,6 +415,8 @@
<em>bodyforce</em> values = bodyforcex bodyforcey bodyforcez = the x,y and z components of a constant body force added to the fluid.
<em>printfluid</em> values = N = print the fluid density and velocity at each grid point every N timesteps.
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -435,6 +684,15 @@ If walls are present, they are assumed to be stationary.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_lb_momentum.html" class="btn btn-neutral float-right" title="fix lb/momentum command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_langevin_eff.html" class="btn btn-neutral" title="fix langevin/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_lb_momentum.html b/doc/html/fix_lb_momentum.html
index 5ca4e990b6f4e9313410a1edf8adfe6ba90a2f7b..3b514b086572ab2a69e7931729dc85dba93edcac 100644
--- a/doc/html/fix_lb_momentum.html
+++ b/doc/html/fix_lb_momentum.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix lb/pc command" href="fix_lb_pc.html"/>
+ <link rel="prev" title="fix lb/fluid command" href="fix_lb_fluid.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix lb/momentum command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix lb/momentum command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_lb_pc.html" class="btn btn-neutral float-right" title="fix lb/pc command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_lb_fluid.html" class="btn btn-neutral" title="fix lb/fluid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,17 +372,22 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">lb</span><span class="o">/</span><span class="n">momentum</span> <span class="n">nevery</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in the <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>lb/momentum = style name of this fix command</li>
-<li>nevery = adjust the momentum every this many timesteps</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>linear</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in the <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">lb/momentum = style name of this fix command</p>
+</li>
+<li><p class="first">nevery = adjust the momentum every this many timesteps</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>linear</em></p>
<pre class="literal-block">
<em>linear</em> values = xflag yflag zflag
xflag,yflag,zflag = 0/1 to exclude/include each dimension.
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -197,6 +443,15 @@ was built with that package. See the <a class="reference internal" href="Sectio
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_lb_pc.html" class="btn btn-neutral float-right" title="fix lb/pc command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_lb_fluid.html" class="btn btn-neutral" title="fix lb/fluid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_lb_pc.html b/doc/html/fix_lb_pc.html
index 8d27f6cd24c7f2ab1eaf11fea19e0f8894e79837..cf656a5f8b51ff65d7230a0c1380b11d6ae14784 100644
--- a/doc/html/fix_lb_pc.html
+++ b/doc/html/fix_lb_pc.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix lb/rigid/pc/sphere command" href="fix_lb_rigid_pc_sphere.html"/>
+ <link rel="prev" title="fix lb/momentum command" href="fix_lb_momentum.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix lb/pc command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix lb/pc command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_lb_rigid_pc_sphere.html" class="btn btn-neutral float-right" title="fix lb/rigid/pc/sphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_lb_momentum.html" class="btn btn-neutral" title="fix lb/momentum command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -178,6 +418,15 @@ command.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_lb_rigid_pc_sphere.html" class="btn btn-neutral float-right" title="fix lb/rigid/pc/sphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_lb_momentum.html" class="btn btn-neutral" title="fix lb/momentum command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_lb_rigid_pc_sphere.html b/doc/html/fix_lb_rigid_pc_sphere.html
index 8bda0b4a824ea6184a3de733d8a288bb9a8b74ed..8c5a1e0e6bcfe6bccbd6aeca332900b6f6624c55 100644
--- a/doc/html/fix_lb_rigid_pc_sphere.html
+++ b/doc/html/fix_lb_rigid_pc_sphere.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix lb/viscous command" href="fix_lb_viscous.html"/>
+ <link rel="prev" title="fix lb/pc command" href="fix_lb_pc.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix lb/rigid/pc/sphere command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix lb/rigid/pc/sphere command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_lb_viscous.html" class="btn btn-neutral float-right" title="fix lb/viscous command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_lb_pc.html" class="btn btn-neutral" title="fix lb/pc command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -137,21 +378,16 @@
<li><p class="first">lb/rigid/pc/sphere = style name of this fix command</p>
</li>
<li><p class="first">bodystyle = <em>single</em> or <em>molecule</em> or <em>group</em></p>
+<pre class="literal-block">
+<em>single</em> args = none
+<em>molecule</em> args = none
+<em>group</em> args = N groupID1 groupID2 ...
+ N = # of groups
+</pre>
</li>
-<li><dl class="first docutils">
-<dt><em>single</em> args = none</dt>
-<dd><p class="first"><em>molecule</em> args = none
-<em>group</em> args = N groupID1 groupID2 ...</p>
-<blockquote class="last">
-<div><p>N = # of groups</p>
-</div></blockquote>
-</dd>
-</dl>
-<p>zero or more keyword/value pairs may be appended</p>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
</li>
<li><p class="first">keyword = <em>force</em> or <em>torque</em> or <em>innerNodes</em></p>
-</li>
-</ul>
<pre class="literal-block">
<em>force</em> values = M xflag yflag zflag
M = which rigid body from 1-Nbody (see asterisk form below)
@@ -162,6 +398,8 @@
<em>innerNodes</em> values = innergroup-ID
innergroup-ID = ID of the atom group which does not experience a hydrodynamic force from the lattice-Boltzmann fluid
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -267,6 +505,15 @@ by default.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_lb_viscous.html" class="btn btn-neutral float-right" title="fix lb/viscous command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_lb_pc.html" class="btn btn-neutral" title="fix lb/pc command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_lb_viscous.html b/doc/html/fix_lb_viscous.html
index 876c9eb1f0bf7be5080635ea3f3552b2fc5d622a..4cd85462f8a9c4031ddca3dd2d26510edd7f6d04 100644
--- a/doc/html/fix_lb_viscous.html
+++ b/doc/html/fix_lb_viscous.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix lineforce command" href="fix_lineforce.html"/>
+ <link rel="prev" title="fix lb/rigid/pc/sphere command" href="fix_lb_rigid_pc_sphere.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix lb/viscous command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix lb/viscous command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_lineforce.html" class="btn btn-neutral float-right" title="fix lineforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_lb_rigid_pc_sphere.html" class="btn btn-neutral" title="fix lb/rigid/pc/sphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -202,6 +442,15 @@ used.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_lineforce.html" class="btn btn-neutral float-right" title="fix lineforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_lb_rigid_pc_sphere.html" class="btn btn-neutral" title="fix lb/rigid/pc/sphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_lineforce.html b/doc/html/fix_lineforce.html
index 2734d0ff4e81e8a3e02c503e995d9ca1146a1f10..d37f896efa1c4379187cda568996e177f6e1b3f8 100644
--- a/doc/html/fix_lineforce.html
+++ b/doc/html/fix_lineforce.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix manifoldforce command" href="fix_manifoldforce.html"/>
+ <link rel="prev" title="fix lb/viscous command" href="fix_lb_viscous.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix lineforce command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix lineforce command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_manifoldforce.html" class="btn btn-neutral float-right" title="fix manifoldforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_lb_viscous.html" class="btn btn-neutral" title="fix lb/viscous command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -176,6 +416,15 @@ invoked by the <a class="reference internal" href="minimize.html"><span class="d
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_manifoldforce.html" class="btn btn-neutral float-right" title="fix manifoldforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_lb_viscous.html" class="btn btn-neutral" title="fix lb/viscous command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_manifoldforce.html b/doc/html/fix_manifoldforce.html
index fa64343002ee3a31714cc079200bae8bffe58813..fd2a796feb482e789c2063bd3959d8f8864a2b4c 100644
--- a/doc/html/fix_manifoldforce.html
+++ b/doc/html/fix_manifoldforce.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix meso command" href="fix_meso.html"/>
+ <link rel="prev" title="fix lineforce command" href="fix_lineforce.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix manifoldforce command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix manifoldforce command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_meso.html" class="btn btn-neutral float-right" title="fix meso command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_lineforce.html" class="btn btn-neutral" title="fix lineforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -177,6 +417,15 @@ incompatible but no error.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_meso.html" class="btn btn-neutral float-right" title="fix meso command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_lineforce.html" class="btn btn-neutral" title="fix lineforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_meso.html b/doc/html/fix_meso.html
index 0ad7f8f622b681b0b369635f206a5d95c89785d1..5ba2d473e647c07cb0652a300f3069164273bddc 100644
--- a/doc/html/fix_meso.html
+++ b/doc/html/fix_meso.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix meso/stationary command" href="fix_meso_stationary.html"/>
+ <link rel="prev" title="fix manifoldforce command" href="fix_manifoldforce.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix meso command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix meso command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_meso_stationary.html" class="btn btn-neutral float-right" title="fix meso/stationary command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_manifoldforce.html" class="btn btn-neutral" title="fix manifoldforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -174,6 +414,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_meso_stationary.html" class="btn btn-neutral float-right" title="fix meso/stationary command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_manifoldforce.html" class="btn btn-neutral" title="fix manifoldforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_meso_stationary.html b/doc/html/fix_meso_stationary.html
index b4fb2d708c18d9ad8a68e10249ee5050b1646a08..aa984e285a6091e0a51336ae1f429682377e1442 100644
--- a/doc/html/fix_meso_stationary.html
+++ b/doc/html/fix_meso_stationary.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix momentum command" href="fix_momentum.html"/>
+ <link rel="prev" title="fix meso command" href="fix_meso.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix meso/stationary command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix meso/stationary command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_momentum.html" class="btn btn-neutral float-right" title="fix momentum command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_meso.html" class="btn btn-neutral" title="fix meso command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -175,6 +415,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_momentum.html" class="btn btn-neutral float-right" title="fix momentum command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_meso.html" class="btn btn-neutral" title="fix meso command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_modify.html b/doc/html/fix_modify.html
index 2af8e6a5bedcf056776581e182d6531ca0ab634a..c04c310ec3b3b8d2d72e014b08afc3e8e454a9e6 100644
--- a/doc/html/fix_modify.html
+++ b/doc/html/fix_modify.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="group command" href="group.html"/>
+ <link rel="prev" title="fix command" href="fix.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix_modify command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>fix_modify command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="group.html" class="btn btn-neutral float-right" title="group command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix.html" class="btn btn-neutral" title="fix command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,17 +275,20 @@
<pre class="literal-block">
fix_modify fix-ID keyword value ...
</pre>
-<ul class="simple">
-<li>fix-ID = ID of the fix to modify</li>
-<li>one or more keyword/value pairs may be appended</li>
-<li>keyword = <em>temp</em> or <em>press</em> or <em>energy</em> or <em>respa</em></li>
-</ul>
+<ul>
+<li><p class="first">fix-ID = ID of the fix to modify</p>
+</li>
+<li><p class="first">one or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>temp</em> or <em>press</em> or <em>energy</em> or <em>respa</em></p>
<pre class="literal-block">
<em>temp</em> value = compute ID that calculates a temperature
<em>press</em> value = compute ID that calculates a pressure
<em>energy</em> value = <em>yes</em> or <em>no</em>
<em>respa</em> value = <em>1</em> to <em>max respa level</em> or <em>0</em> (for outermost level)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -220,6 +367,15 @@ by fix, energy = no, respa = 0.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="group.html" class="btn btn-neutral float-right" title="group command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix.html" class="btn btn-neutral" title="fix command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_momentum.html b/doc/html/fix_momentum.html
index c5388609c54707e77ffb84085f40e07f934f1b9f..d5e0a95ddf5ac36eec8c76e666dd101f6cee6b55 100644
--- a/doc/html/fix_momentum.html
+++ b/doc/html/fix_momentum.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix move command" href="fix_move.html"/>
+ <link rel="prev" title="fix meso/stationary command" href="fix_meso_stationary.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix momentum command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix momentum command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_move.html" class="btn btn-neutral float-right" title="fix move command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_meso_stationary.html" class="btn btn-neutral" title="fix meso/stationary command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,13 +371,15 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">momentum</span> <span class="n">N</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>momentum = style name of this fix command</li>
-<li>N = adjust the momentum every this many timesteps
-one or more keyword/value pairs may be appended</li>
-<li>keyword = <em>linear</em> or <em>angular</em> or <em>rescale</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">momentum = style name of this fix command</p>
+</li>
+<li><p class="first">N = adjust the momentum every this many timesteps
+one or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>linear</em> or <em>angular</em> or <em>rescale</em></p>
<pre class="literal-block">
<em>linear</em> values = xflag yflag zflag
xflag,yflag,zflag = 0/1 to exclude/include each dimension
@@ -146,6 +388,8 @@ one or more keyword/value pairs may be appended</li>
<pre class="literal-block">
<em>rescale</em> values = none
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -199,6 +443,15 @@ This fix is not invoked during <a class="reference internal" href="minimize.html
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_move.html" class="btn btn-neutral float-right" title="fix move command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_meso_stationary.html" class="btn btn-neutral" title="fix meso/stationary command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_move.html b/doc/html/fix_move.html
index ad7177b2bdf1f3ea1e538e8bccc131ddf0503f18..11ccb6b6d7e98eb485c3464f8d746b205e227a7b 100644
--- a/doc/html/fix_move.html
+++ b/doc/html/fix_move.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix msst command" href="fix_msst.html"/>
+ <link rel="prev" title="fix momentum command" href="fix_momentum.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix move command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix move command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_msst.html" class="btn btn-neutral float-right" title="fix msst command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_momentum.html" class="btn btn-neutral" title="fix momentum command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,11 +371,12 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">move</span> <span class="n">style</span> <span class="n">args</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>move = style name of this fix command</li>
-<li>style = <em>linear</em> or <em>wiggle</em> or <em>rotate</em> or <em>variable</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">move = style name of this fix command</p>
+</li>
+<li><p class="first">style = <em>linear</em> or <em>wiggle</em> or <em>rotate</em> or <em>variable</em></p>
<pre class="literal-block">
<em>linear</em> args = Vx Vy Vz
Vx,Vy,Vz = components of velocity vector (velocity units), any component can be specified as NULL
@@ -150,13 +391,15 @@
v_dx,v_dy,v_dz = 3 variable names that calculate x,y,z displacement as function of time, any component can be specified as NULL
v_vx,v_vy,v_vz = 3 variable names that calculate x,y,z velocity as function of time, any component can be specified as NULL
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>units</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>units</em></p>
<pre class="literal-block">
<em>units</em> value = <em>box</em> or <em>lattice</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -346,6 +589,15 @@ position and velocity of atoms on the outermost rRESPA level.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_msst.html" class="btn btn-neutral float-right" title="fix msst command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_momentum.html" class="btn btn-neutral" title="fix momentum command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_msst.html b/doc/html/fix_msst.html
index c54106e01e52e76b598e92414a3a19e086e1b6ca..ec7156e5d96e49a7f9a26bd1c69f4205e34b921d 100644
--- a/doc/html/fix_msst.html
+++ b/doc/html/fix_msst.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix neb command" href="fix_neb.html"/>
+ <link rel="prev" title="fix move command" href="fix_move.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix msst command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix msst command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_neb.html" class="btn btn-neutral float-right" title="fix neb command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_move.html" class="btn btn-neutral" title="fix move command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,14 +372,18 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">msst</span> <span class="nb">dir</span> <span class="n">shockvel</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>msst = style name of this fix</li>
-<li>dir = <em>x</em> or <em>y</em> or <em>z</em></li>
-<li>shockvel = shock velocity (strictly positive, distance/time units)</li>
-<li>zero or more keyword value pairs may be appended</li>
-<li>keyword = <em>q</em> or <em>mu</em> or <em>p0</em> or <em>v0</em> or <em>e0</em> or <em>tscale</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">msst = style name of this fix</p>
+</li>
+<li><p class="first">dir = <em>x</em> or <em>y</em> or <em>z</em></p>
+</li>
+<li><p class="first">shockvel = shock velocity (strictly positive, distance/time units)</p>
+</li>
+<li><p class="first">zero or more keyword value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>q</em> or <em>mu</em> or <em>p0</em> or <em>v0</em> or <em>e0</em> or <em>tscale</em></p>
<pre class="literal-block">
<em>q</em> value = cell mass-like parameter (mass^2/distance^4 units)
<em>mu</em> value = artificial viscosity (mass/length/time units)
@@ -147,6 +392,8 @@
<em>e0</em> value = initial total energy (energy units)
<em>tscale</em> value = reduction in initial temperature (unitless fraction between 0.0 and 1.0)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -267,6 +514,15 @@ are calculated on the first step.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_neb.html" class="btn btn-neutral float-right" title="fix neb command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_move.html" class="btn btn-neutral" title="fix move command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_neb.html b/doc/html/fix_neb.html
index 1e50f393e078f55b24c87c1879e292b4d6811510..345b1944819d52c56360f0daaca04522f3745dc2 100644
--- a/doc/html/fix_neb.html
+++ b/doc/html/fix_neb.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nvt command" href="fix_nh.html"/>
+ <link rel="prev" title="fix msst command" href="fix_msst.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix neb command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix neb command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nh.html" class="btn btn-neutral float-right" title="fix nvt command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_msst.html" class="btn btn-neutral" title="fix msst command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -149,7 +389,7 @@
simulation run via the <a class="reference internal" href="neb.html"><span class="doc">neb</span></a> command to perform a nudged
elastic band (NEB) calculation for transition state finding. Hi-level
explanations of NEB are given with the <a class="reference internal" href="neb.html"><span class="doc">neb</span></a> command and in
-<a class="reference internal" href="Section_howto.html#howto-5"><span class="std std-ref">Section_howto 5</span></a> of the manual. The fix
+<a class="reference internal" href="Section_howto.html#howto-5"><span class="std std-ref">Section 6.5</span></a> of the manual. The fix
neb command must be used with the “neb” command to define how
inter-replica forces are computed.</p>
<p>Only the N atoms in the fix group experience inter-replica forces.
@@ -157,16 +397,16 @@ Atoms in the two end-point replicas do not experience these forces,
but those in intermediate replicas do. During the initial stage of
NEB, the 3N-length vector of interatomic forces Fi = -Grad(V) acting
on the atoms of each intermediate replica I is altered, as described
-in the <a class="reference internal" href="neb.html#henkelman1"><span class="std std-ref">(Henkelman1)</span></a> paper, to become:</p>
-<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">Fi</span> <span class="o">=</span> <span class="o">-</span><span class="n">Grad</span><span class="p">(</span><span class="n">V</span><span class="p">)</span> <span class="o">+</span> <span class="p">(</span><span class="n">Grad</span><span class="p">(</span><span class="n">V</span><span class="p">)</span> <span class="n">dot</span> <span class="n">That</span><span class="p">)</span> <span class="n">That</span> <span class="o">+</span> <span class="n">Kspring</span> <span class="p">(</span><span class="o">|</span><span class="n">Ri</span><span class="o">+</span><span class="n">i</span> <span class="o">-</span> <span class="n">Ri</span><span class="o">|</span> <span class="o">-</span> <span class="o">|</span><span class="n">Ri</span> <span class="o">-</span> <span class="n">Ri</span><span class="o">-</span><span class="mi">1</span><span class="o">|</span><span class="p">)</span> <span class="n">That</span>
-</pre></div>
-</div>
+in the <a class="reference internal" href="#henkelman1"><span class="std std-ref">(Henkelman1)</span></a> paper, to become:</p>
+<pre class="literal-block">
+Fi = -Grad(V) + (Grad(V) dot That) That + Kspring (| Ri+i - Ri | - | Ri - Ri-1 |) That
+</pre>
<p>Ri are the atomic coordinates of replica I; Ri-1 and Ri+1 are the
coordinates of its neighbor replicas. That (t with a hat over it) is
the unit “tangent” vector for replica I which is a function of Ri,
Ri-1, Ri+1, and the potential energy of the 3 replicas; it points
roughly in the direction of (Ri+i - Ri-1); see the
-<a class="reference internal" href="neb.html#henkelman1"><span class="std std-ref">(Henkelman1)</span></a> paper for details.</p>
+<a class="reference internal" href="#henkelman1"><span class="std std-ref">(Henkelman1)</span></a> paper for details.</p>
<p>The first two terms in the above equation are the component of the
interatomic forces perpendicular to the tangent vector. The last term
is a spring force between replica I and its neighbors, parallel to the
@@ -184,7 +424,7 @@ states are equidistant from each other.</p>
replica nearest the top of the energy barrier are altered so that it
climbs to the top of the barrier and finds the saddle point. The
forces on atoms in this replica are described in the
-<a class="reference internal" href="neb.html#henkelman2"><span class="std std-ref">(Henkelman2)</span></a> paper, and become:</p>
+<a class="reference internal" href="#henkelman2"><span class="std std-ref">(Henkelman2)</span></a> paper, and become:</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">Fi</span> <span class="o">=</span> <span class="o">-</span><span class="n">Grad</span><span class="p">(</span><span class="n">V</span><span class="p">)</span> <span class="o">+</span> <span class="mi">2</span> <span class="p">(</span><span class="n">Grad</span><span class="p">(</span><span class="n">V</span><span class="p">)</span> <span class="n">dot</span> <span class="n">That</span><span class="p">)</span> <span class="n">That</span>
</pre></div>
</div>
@@ -209,8 +449,8 @@ for more info on packages.</p>
<h2>Related commands</h2>
<p><a class="reference internal" href="neb.html"><span class="doc">neb</span></a></p>
<p><strong>Default:</strong> none</p>
-<p id="henkelman"><strong>(Henkelman1)</strong> Henkelman and Jonsson, J Chem Phys, 113, 9978-9985 (2000).</p>
-<p id="id1"><strong>(Henkelman2)</strong> Henkelman, Uberuaga, Jonsson, J Chem Phys, 113,
+<p id="henkelman1"><strong>(Henkelman1)</strong> Henkelman and Jonsson, J Chem Phys, 113, 9978-9985 (2000).</p>
+<p id="henkelman2"><strong>(Henkelman2)</strong> Henkelman, Uberuaga, Jonsson, J Chem Phys, 113,
9901-9904 (2000).</p>
</div>
</div>
@@ -220,6 +460,15 @@ for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nh.html" class="btn btn-neutral float-right" title="fix nvt command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_msst.html" class="btn btn-neutral" title="fix msst command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nh.html b/doc/html/fix_nh.html
index 8cbee0b46f9e4e7b77c60fe8aca52224363904ae..c466ff61439ee2e751faddd5c4783b19f39d9222 100644
--- a/doc/html/fix_nh.html
+++ b/doc/html/fix_nh.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nvt/eff command" href="fix_nh_eff.html"/>
+ <link rel="prev" title="fix neb command" href="fix_neb.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nph-omp-command">fix nph/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nvt command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nh_eff.html" class="btn btn-neutral float-right" title="fix nvt/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_neb.html" class="btn btn-neutral" title="fix neb command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -161,11 +402,12 @@
<pre class="literal-block">
fix ID group-ID style_name keyword value ...
</pre>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>style_name = <em>nvt</em> or <em>npt</em> or <em>nph</em></li>
-<li>one or more keyword/value pairs may be appended</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">style_name = <em>nvt</em> or <em>npt</em> or <em>nph</em></p>
+</li>
+<li><p class="first">one or more keyword/value pairs may be appended</p>
<pre class="literal-block">
keyword = <em>temp</em> or <em>iso</em> or <em>aniso</em> or <em>tri</em> or <em>x</em> or <em>y</em> or <em>z</em> or <em>xy</em> or <em>yz</em> or <em>xz</em> or <em>couple</em> or <em>tchain</em> or <em>pchain</em> or <em>mtk</em> or <em>tloop</em> or <em>ploop</em> or <em>nreset</em> or <em>drag</em> or <em>dilate</em> or <em>scalexy</em> or <em>scaleyz</em> or <em>scalexz</em> or <em>flip</em> or <em>fixedpoint</em> or <em>update</em>
<em>temp</em> values = Tstart Tstop Tdamp
@@ -202,6 +444,8 @@ keyword = <em>temp</em> or <em>iso</em> or <em>aniso</em> or <em>tri</em> or <em
dipole = update dipole orientation (only for sphere variants)
dipole/dlm = use DLM integrator to update dipole orientation (only for sphere variants)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -594,7 +838,7 @@ the various ways to do this.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -604,7 +848,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -731,6 +975,15 @@ Martyna, J Phys A: Math Gen, 39, 5629 (2006).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nh_eff.html" class="btn btn-neutral float-right" title="fix nvt/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_neb.html" class="btn btn-neutral" title="fix neb command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nh_eff.html b/doc/html/fix_nh_eff.html
index d11bbb105e56975d2dde6eb8fbe9f6ffe0a0654b..c01ecebe3ee143cea4cc1c1482a5c63628cc5e62 100644
--- a/doc/html/fix_nh_eff.html
+++ b/doc/html/fix_nh_eff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nph/asphere command" href="fix_nph_asphere.html"/>
+ <link rel="prev" title="fix nvt command" href="fix_nh.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nph-eff-command">fix nph/eff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nvt/eff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nph_asphere.html" class="btn btn-neutral float-right" title="fix nph/asphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nh.html" class="btn btn-neutral" title="fix nvt command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -137,10 +378,10 @@
<pre class="literal-block">
fix ID group-ID style_name keyword value ...
</pre>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>style_name = <em>nvt/eff</em> or <em>npt/eff</em> or <em>nph/eff</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">style_name = <em>nvt/eff</em> or <em>npt/eff</em> or <em>nph/eff</em></p>
<pre class="literal-block">
one or more keyword value pairs may be appended
keyword = <em>temp</em> or <em>iso</em> or <em>aniso</em> or <em>tri</em> or <em>x</em> or <em>y</em> or <em>z</em> or <em>xy</em> or <em>yz</em> or <em>xz</em> or <em>couple</em> or <em>tchain</em> or <em>pchain</em> or <em>mtk</em> or <em>tloop</em> or <em>ploop</em> or <em>nreset</em> or <em>drag</em> or <em>dilate</em>
@@ -163,6 +404,8 @@ keyword = <em>temp</em> or <em>iso</em> or <em>aniso</em> or <em>tri</em> or <em
<em>drag</em> value = drag factor added to barostat/thermostat (0.0 = no drag)
<em>dilate</em> value = <em>all</em> or <em>partial</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -267,6 +510,15 @@ Martyna, J Phys A: Math Gen, 39, 5629 (2006).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nph_asphere.html" class="btn btn-neutral float-right" title="fix nph/asphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nh.html" class="btn btn-neutral" title="fix nvt command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nph_asphere.html b/doc/html/fix_nph_asphere.html
index 2c2d1a4d0a3f66726d1532403f82118ccfced1fe..d53dde64b1ee5f1a7a1247b2ef400d7f07fcf8b3 100644
--- a/doc/html/fix_nph_asphere.html
+++ b/doc/html/fix_nph_asphere.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nph/body command" href="fix_nph_body.html"/>
+ <link rel="prev" title="fix nvt/eff command" href="fix_nh_eff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nph/asphere command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nph_body.html" class="btn btn-neutral float-right" title="fix nph/body command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nh_eff.html" class="btn btn-neutral" title="fix nvt/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -195,7 +435,7 @@ It also means that changing attributes of <em>thermo_temp</em> or
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -205,7 +445,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
<p>This fix writes the state of the Nose/Hoover barostat to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>. See the <a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a>
@@ -253,6 +493,15 @@ shape attribute.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nph_body.html" class="btn btn-neutral float-right" title="fix nph/body command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nh_eff.html" class="btn btn-neutral" title="fix nvt/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nph_body.html b/doc/html/fix_nph_body.html
index f19aff76b15d50436e6dfb33b862ac240ed166d3..23c777aeccbfb3063351ec6f87675474c874076a 100644
--- a/doc/html/fix_nph_body.html
+++ b/doc/html/fix_nph_body.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nph/sphere command" href="fix_nph_sphere.html"/>
+ <link rel="prev" title="fix nph/asphere command" href="fix_nph_asphere.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nph/body command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nph/body command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nph_sphere.html" class="btn btn-neutral float-right" title="fix nph/sphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nph_asphere.html" class="btn btn-neutral" title="fix nph/asphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -192,7 +432,7 @@ It also means that changing attributes of <em>thermo_temp</em> or
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -202,7 +442,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
<p>This fix writes the state of the Nose/Hoover barostat to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>. See the <a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a>
@@ -247,6 +487,15 @@ command.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nph_sphere.html" class="btn btn-neutral float-right" title="fix nph/sphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nph_asphere.html" class="btn btn-neutral" title="fix nph/asphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nph_sphere.html b/doc/html/fix_nph_sphere.html
index ec7a15a0cdb96d35a92aa907366c88a6cf810c30..32fc5b6a13240510caf0cc16aaa73669247cd811 100644
--- a/doc/html/fix_nph_sphere.html
+++ b/doc/html/fix_nph_sphere.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nphug command" href="fix_nphug.html"/>
+ <link rel="prev" title="fix nph/body command" href="fix_nph_body.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nph/sphere command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nphug.html" class="btn btn-neutral float-right" title="fix nphug command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nph_body.html" class="btn btn-neutral" title="fix nph/body command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -195,7 +435,7 @@ It also means that changing attributes of <em>thermo_temp</em> or
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -205,7 +445,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
<p>This fix writes the state of the Nose/Hoover barostat to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>. See the <a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a>
@@ -251,6 +491,15 @@ be point particles.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nphug.html" class="btn btn-neutral float-right" title="fix nphug command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nph_body.html" class="btn btn-neutral" title="fix nph/body command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nphug.html b/doc/html/fix_nphug.html
index 85dd234fe378df7a3578ae5105e93a4c589cc567..d164455776b5ba06af45ece74ef63ac395541fa7 100644
--- a/doc/html/fix_nphug.html
+++ b/doc/html/fix_nphug.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix npt/asphere command" href="fix_npt_asphere.html"/>
+ <link rel="prev" title="fix nph/sphere command" href="fix_nph_sphere.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nphug-omp-command">fix nphug/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nphug command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_npt_asphere.html" class="btn btn-neutral float-right" title="fix npt/asphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nph_sphere.html" class="btn btn-neutral" title="fix nph/sphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -134,9 +375,8 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">nphug</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
<pre class="literal-block">
one or more keyword value pairs may be appended
keyword = <em>temp</em> or <em>iso</em> or <em>aniso</em> or <em>tri</em> or <em>x</em> or <em>y</em> or <em>z</em> or <em>couple</em> or <em>tchain</em> or <em>pchain</em> or <em>mtk</em> or <em>tloop</em> or <em>ploop</em> or <em>nreset</em> or <em>drag</em> or <em>dilate</em> or <em>scaleyz</em> or <em>scalexz</em> or <em>scalexy</em>
@@ -162,6 +402,8 @@ keyword = <em>temp</em> or <em>iso</em> or <em>aniso</em> or <em>tri</em> or <em
<em>scalexz</em> value = <em>yes</em> or <em>no</em> = scale xz with lz
<em>scalexy</em> value = <em>yes</em> or <em>no</em> = scale xy with ly
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -254,7 +496,7 @@ It also means that changing attributes of <em>thermo_temp</em> or
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -264,7 +506,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -329,6 +571,15 @@ plus the additional ones mentioned above.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_npt_asphere.html" class="btn btn-neutral float-right" title="fix npt/asphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nph_sphere.html" class="btn btn-neutral" title="fix nph/sphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_npt_asphere.html b/doc/html/fix_npt_asphere.html
index 2216a346780e5c81ed3cf9a863d2af35988615fe..8d3bd95381b016034e05674d0ed982d6947c3cee 100644
--- a/doc/html/fix_npt_asphere.html
+++ b/doc/html/fix_npt_asphere.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix npt/body command" href="fix_npt_body.html"/>
+ <link rel="prev" title="fix nphug command" href="fix_nphug.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix npt/asphere command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_npt_body.html" class="btn btn-neutral float-right" title="fix npt/body command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nphug.html" class="btn btn-neutral" title="fix nphug command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
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<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -215,7 +455,7 @@ thermal degrees of freedom, and the bias is added back in.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -225,7 +465,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
<p>This fix writes the state of the Nose/Hoover thermostat and barostat
@@ -276,6 +516,15 @@ shape attribute.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_npt_body.html" class="btn btn-neutral float-right" title="fix npt/body command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nphug.html" class="btn btn-neutral" title="fix nphug command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_npt_body.html b/doc/html/fix_npt_body.html
index b0378984637b10d0c7d37c4c1eea4b442211fdf6..7503ebfd903563714f2f77278ae539473644292f 100644
--- a/doc/html/fix_npt_body.html
+++ b/doc/html/fix_npt_body.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix npt/sphere command" href="fix_npt_sphere.html"/>
+ <link rel="prev" title="fix npt/asphere command" href="fix_npt_asphere.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix npt/body command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix npt/body command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_npt_sphere.html" class="btn btn-neutral float-right" title="fix npt/sphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_npt_asphere.html" class="btn btn-neutral" title="fix npt/asphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -212,7 +452,7 @@ thermal degrees of freedom, and the bias is added back in.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -222,7 +462,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
<p>This fix writes the state of the Nose/Hoover thermostat and barostat
@@ -270,6 +510,15 @@ command.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_npt_sphere.html" class="btn btn-neutral float-right" title="fix npt/sphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_npt_asphere.html" class="btn btn-neutral" title="fix npt/asphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_npt_sphere.html b/doc/html/fix_npt_sphere.html
index f05e7862217acd893c0237cd24b172f1f0007cca..2f0f989e071a4dd3970d92c255618ad869ad6cdf 100644
--- a/doc/html/fix_npt_sphere.html
+++ b/doc/html/fix_npt_sphere.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nve command" href="fix_nve.html"/>
+ <link rel="prev" title="fix npt/body command" href="fix_npt_body.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix npt/sphere command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve.html" class="btn btn-neutral float-right" title="fix nve command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_npt_body.html" class="btn btn-neutral" title="fix npt/body command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -214,7 +454,7 @@ thermal degrees of freedom, and the bias is added back in.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -224,7 +464,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
<p>This fix writes the state of the Nose/Hoover thermostat and barostat
@@ -272,6 +512,15 @@ be point particles.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve.html" class="btn btn-neutral float-right" title="fix nve command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_npt_body.html" class="btn btn-neutral" title="fix npt/body command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nve.html b/doc/html/fix_nve.html
index 842763192839c42bd9541e3e8f931aae9d38a7ff..a3867e4e799a33c184fe2ce4cea0d9330eb3c0fd 100644
--- a/doc/html/fix_nve.html
+++ b/doc/html/fix_nve.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nve/asphere command" href="fix_nve_asphere.html"/>
+ <link rel="prev" title="fix npt/sphere command" href="fix_npt_sphere.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nve-omp-command">fix nve/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nve command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_asphere.html" class="btn btn-neutral float-right" title="fix nve/asphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_npt_sphere.html" class="btn btn-neutral" title="fix npt/sphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -161,7 +401,7 @@ ensemble.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -171,7 +411,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -198,6 +438,15 @@ This fix is not invoked during <a class="reference internal" href="minimize.html
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_asphere.html" class="btn btn-neutral float-right" title="fix nve/asphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_npt_sphere.html" class="btn btn-neutral" title="fix npt/sphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nve_asphere.html b/doc/html/fix_nve_asphere.html
index 88dbabd521a0fa8aa8a55f436434d3865d86dfba..7fad8204ebf9779e7e727f0a89546b42bcc8d0d5 100644
--- a/doc/html/fix_nve_asphere.html
+++ b/doc/html/fix_nve_asphere.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nve/asphere/noforce command" href="fix_nve_asphere_noforce.html"/>
+ <link rel="prev" title="fix nve command" href="fix_nve.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nve/asphere command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_asphere_noforce.html" class="btn btn-neutral float-right" title="fix nve/asphere/noforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve.html" class="btn btn-neutral" title="fix nve command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -163,7 +403,7 @@ This fix is not invoked during <a class="reference internal" href="minimize.html
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -173,7 +413,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -200,6 +440,15 @@ shape attribute.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_asphere_noforce.html" class="btn btn-neutral float-right" title="fix nve/asphere/noforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve.html" class="btn btn-neutral" title="fix nve command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nve_asphere_noforce.html b/doc/html/fix_nve_asphere_noforce.html
index dd98e2ce40e0c189274bb3ac41c525ef5cb28e52..a5b2b19af914f63f60d025bc1636a063343d730b 100644
--- a/doc/html/fix_nve_asphere_noforce.html
+++ b/doc/html/fix_nve_asphere_noforce.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nve/body command" href="fix_nve_body.html"/>
+ <link rel="prev" title="fix nve/asphere command" href="fix_nve_asphere.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nve/asphere/noforce command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nve/asphere/noforce command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_body.html" class="btn btn-neutral float-right" title="fix nve/body command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_asphere.html" class="btn btn-neutral" title="fix nve/asphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -181,6 +421,15 @@ shape attribute.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_body.html" class="btn btn-neutral float-right" title="fix nve/body command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_asphere.html" class="btn btn-neutral" title="fix nve/asphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nve_body.html b/doc/html/fix_nve_body.html
index 45816df757baac589554105510c7a009516b969f..79727902867ec84c8fefdae079d4c15ffd4243d9 100644
--- a/doc/html/fix_nve_body.html
+++ b/doc/html/fix_nve_body.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nve/eff command" href="fix_nve_eff.html"/>
+ <link rel="prev" title="fix nve/asphere/noforce command" href="fix_nve_asphere_noforce.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nve/body command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nve/body command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_eff.html" class="btn btn-neutral float-right" title="fix nve/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_asphere_noforce.html" class="btn btn-neutral" title="fix nve/asphere/noforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -147,7 +387,7 @@
<p>Perform constant NVE integration to update position, velocity,
orientation, and angular velocity for body particles in the group each
timestep. V is volume; E is energy. This creates a system trajectory
-consistent with the microcanonical ensemble. See <a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section_howto 14</span></a> of the manual and the <a class="reference internal" href="body.html"><span class="doc">body</span></a>
+consistent with the microcanonical ensemble. See <a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section 6.14</span></a> of the manual and the <a class="reference internal" href="body.html"><span class="doc">body</span></a>
doc page for more details on using body particles.</p>
<p>This fix differs from the <a class="reference internal" href="fix_nve.html"><span class="doc">fix nve</span></a> command, which
assumes point particles and only updates their position and velocity.</p>
@@ -180,6 +420,15 @@ point particles.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_eff.html" class="btn btn-neutral float-right" title="fix nve/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_asphere_noforce.html" class="btn btn-neutral" title="fix nve/asphere/noforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nve_eff.html b/doc/html/fix_nve_eff.html
index cb8c7c772fc1ad7df36438b2aed1773836f18c47..4e04fb596588cce8cf9a3fa07b2944b180dbad77 100644
--- a/doc/html/fix_nve_eff.html
+++ b/doc/html/fix_nve_eff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nve/limit command" href="fix_nve_limit.html"/>
+ <link rel="prev" title="fix nve/body command" href="fix_nve_body.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nve/eff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nve/eff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_limit.html" class="btn btn-neutral float-right" title="fix nve/limit command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_body.html" class="btn btn-neutral" title="fix nve/body command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -173,6 +413,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_limit.html" class="btn btn-neutral float-right" title="fix nve/limit command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_body.html" class="btn btn-neutral" title="fix nve/body command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nve_limit.html b/doc/html/fix_nve_limit.html
index febff4c671ee0475d5f025404fcea2957460662b..8ec3d0cfda34669aac9f996fe5f9888fb2e94a72 100644
--- a/doc/html/fix_nve_limit.html
+++ b/doc/html/fix_nve_limit.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nve/line command" href="fix_nve_line.html"/>
+ <link rel="prev" title="fix nve/eff command" href="fix_nve_eff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nve/limit command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nve/limit command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_line.html" class="btn btn-neutral float-right" title="fix nve/line command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_eff.html" class="btn btn-neutral" title="fix nve/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -211,6 +451,15 @@ the <a class="reference internal" href="run.html"><span class="doc">run</span></
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_line.html" class="btn btn-neutral float-right" title="fix nve/line command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_eff.html" class="btn btn-neutral" title="fix nve/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nve_line.html b/doc/html/fix_nve_line.html
index 5b6a9bb8abb5b6b480233e61390b0ddca7139ae8..52d646c4e0f0c75f6d98796dc4a0583438bcda4b 100644
--- a/doc/html/fix_nve_line.html
+++ b/doc/html/fix_nve_line.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nve/manifold/rattle command" href="fix_nve_manifold_rattle.html"/>
+ <link rel="prev" title="fix nve/limit command" href="fix_nve_limit.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nve/line command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nve/line command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_manifold_rattle.html" class="btn btn-neutral float-right" title="fix nve/manifold/rattle command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_limit.html" class="btn btn-neutral" title="fix nve/limit command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
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<div itemprop="articleBody">
@@ -148,8 +388,8 @@
orientation, and angular velocity for line segment particles in the
group each timestep. V is volume; E is energy. This creates a system
trajectory consistent with the microcanonical ensemble. See
-<a class="reference internal" href="Section_howto.html"><span class="doc">Section_howto 14</span></a> of the manual for an overview of
-using line segment particles.</p>
+<a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section 6.14</span></a> of the manual for an
+overview of using line segment particles.</p>
<p>This fix differs from the <a class="reference internal" href="fix_nve.html"><span class="doc">fix nve</span></a> command, which
assumes point particles and only updates their position and velocity.</p>
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -178,6 +418,15 @@ was built with that package. See the <a class="reference internal" href="Sectio
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_manifold_rattle.html" class="btn btn-neutral float-right" title="fix nve/manifold/rattle command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_limit.html" class="btn btn-neutral" title="fix nve/limit command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nve_manifold_rattle.html b/doc/html/fix_nve_manifold_rattle.html
index de2190636f476ae80623c3ca16fb2575f334daaa..4d264b46bf12766c675b0601467dccdf82a860de 100644
--- a/doc/html/fix_nve_manifold_rattle.html
+++ b/doc/html/fix_nve_manifold_rattle.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nve/noforce command" href="fix_nve_noforce.html"/>
+ <link rel="prev" title="fix nve/line command" href="fix_nve_line.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nve/manifold/rattle command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nve/manifold/rattle command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_noforce.html" class="btn btn-neutral float-right" title="fix nve/noforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_line.html" class="btn btn-neutral" title="fix nve/line command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,20 +371,27 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">nve</span><span class="o">/</span><span class="n">manifold</span><span class="o">/</span><span class="n">rattle</span> <span class="n">tol</span> <span class="n">maxit</span> <span class="n">manifold</span> <span class="n">manifold</span><span class="o">-</span><span class="n">args</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>nve/manifold/rattle = style name of this fix command</li>
-<li>tol = tolerance to which Newton iteration must converge</li>
-<li>maxit = maximum number of iterations to perform</li>
-<li>manifold = name of the manifold</li>
-<li>manifold-args = parameters for the manifold</li>
-<li>one or more keyword/value pairs may be appended</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">nve/manifold/rattle = style name of this fix command</p>
+</li>
+<li><p class="first">tol = tolerance to which Newton iteration must converge</p>
+</li>
+<li><p class="first">maxit = maximum number of iterations to perform</p>
+</li>
+<li><p class="first">manifold = name of the manifold</p>
+</li>
+<li><p class="first">manifold-args = parameters for the manifold</p>
+</li>
+<li><p class="first">one or more keyword/value pairs may be appended</p>
<pre class="literal-block">
keyword = <em>every</em>
<em>every</em> values = N
N = print info about iteration every N steps. N = 0 means no output
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -159,7 +406,7 @@ keyword = <em>every</em>
atoms constrained to a curved surface (manifold) in the group each
timestep. The constraint is handled by RATTLE <a class="reference internal" href="fix_shake.html#andersen"><span class="std std-ref">(Andersen)</span></a>
written out for the special case of single-particle constraints as
-explained in <a class="reference internal" href="manifolds.html#paquay"><span class="std std-ref">(Paquay)</span></a>. V is volume; E is energy. This way,
+explained in <a class="reference internal" href="#paquay2"><span class="std std-ref">(Paquay)</span></a>. V is volume; E is energy. This way,
the dynamics of particles constrained to curved surfaces can be
studied. If combined with <a class="reference internal" href="fix_langevin.html"><span class="doc">fix langevin</span></a>, this
generates Brownian motion of particles constrained to a curved
@@ -203,7 +450,7 @@ LAMMPS was built with that package. See the <a class="reference internal" href="
<p><strong>Default:</strong> every = 0, tchain = 3</p>
<hr class="docutils" />
<p id="andersen"><strong>(Andersen)</strong> Andersen, J. Comp. Phys. 52, 24, (1983).</p>
-<p id="paquay"><strong>(Paquay)</strong> Paquay and Kusters, Biophys. J., 110, 6, (2016).
+<p id="paquay2"><strong>(Paquay)</strong> Paquay and Kusters, Biophys. J., 110, 6, (2016).
preprint available at <a class="reference external" href="http://arxiv.org/abs/1411.3019/">arXiv:1411.3019</a>.</p>
</div>
</div>
@@ -213,6 +460,15 @@ preprint available at <a class="reference external" href="http://arxiv.org/abs/1
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_noforce.html" class="btn btn-neutral float-right" title="fix nve/noforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_line.html" class="btn btn-neutral" title="fix nve/line command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nve_noforce.html b/doc/html/fix_nve_noforce.html
index ddde5961c0c856bb82689f21d7e7541b5d53f6d0..03a96faef81b57d1f88c6c2c0696a6726e72a2cd 100644
--- a/doc/html/fix_nve_noforce.html
+++ b/doc/html/fix_nve_noforce.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nve/sphere command" href="fix_nve_sphere.html"/>
+ <link rel="prev" title="fix nve/manifold/rattle command" href="fix_nve_manifold_rattle.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nve/noforce command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nve/noforce command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_sphere.html" class="btn btn-neutral float-right" title="fix nve/sphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_manifold_rattle.html" class="btn btn-neutral" title="fix nve/manifold/rattle command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -179,6 +419,15 @@ This fix is not invoked during <a class="reference internal" href="minimize.html
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_sphere.html" class="btn btn-neutral float-right" title="fix nve/sphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_manifold_rattle.html" class="btn btn-neutral" title="fix nve/manifold/rattle command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nve_sphere.html b/doc/html/fix_nve_sphere.html
index 2a709985983ac64f1339566cf104f0a9c633053a..0e2c9cd6f8a101259dbb48ff5befd5b96b7ad4a4 100644
--- a/doc/html/fix_nve_sphere.html
+++ b/doc/html/fix_nve_sphere.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nve/tri command" href="fix_nve_tri.html"/>
+ <link rel="prev" title="fix nve/noforce command" href="fix_nve_noforce.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nve/sphere command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_tri.html" class="btn btn-neutral float-right" title="fix nve/tri command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_noforce.html" class="btn btn-neutral" title="fix nve/noforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -134,17 +374,20 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">nve</span><span class="o">/</span><span class="n">sphere</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>nve/sphere = style name of this fix command</li>
-<li>zero or more keyword/value pairs may be appended</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">nve/sphere = style name of this fix command</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
<pre class="literal-block">
keyword = <em>update</em>
<em>update</em> value = <em>dipole</em> or <em>dipole/dlm</em>
dipole = update orientation of dipole moment during integration
dipole/dlm = use DLM integrator to update dipole orientation
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -177,7 +420,7 @@ at only a small additional computational cost.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -187,7 +430,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -222,6 +465,15 @@ be point particles.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nve_tri.html" class="btn btn-neutral float-right" title="fix nve/tri command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_noforce.html" class="btn btn-neutral" title="fix nve/noforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nve_tri.html b/doc/html/fix_nve_tri.html
index 1462555ef283316b48933d6724cfc4e0c7f8f86d..3de9248bbec81f78c85ba49bb0fe7707da549321 100644
--- a/doc/html/fix_nve_tri.html
+++ b/doc/html/fix_nve_tri.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nvt/asphere command" href="fix_nvt_asphere.html"/>
+ <link rel="prev" title="fix nve/sphere command" href="fix_nve_sphere.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nve/tri command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nve/tri command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nvt_asphere.html" class="btn btn-neutral float-right" title="fix nvt/asphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_sphere.html" class="btn btn-neutral" title="fix nve/sphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -146,10 +386,10 @@
<h2>Description</h2>
<p>Perform constant NVE integration to update position, velocity,
orientation, and angular momentum for triangular particles in the
-group each timestep. V is volume; E is energy. This creates a system
-trajectory consistent with the microcanonical ensemble. See
-<a class="reference internal" href="Section_howto.html"><span class="doc">Section_howto 14</span></a> of the manual for an overview of
-using triangular particles.</p>
+group each timestep. V is volume; E is energy. This creates a
+system trajectory consistent with the microcanonical ensemble. See
+<a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section 6.14</span></a> of the manual for an
+overview of using triangular particles.</p>
<p>This fix differs from the <a class="reference internal" href="fix_nve.html"><span class="doc">fix nve</span></a> command, which
assumes point particles and only updates their position and velocity.</p>
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -178,6 +418,15 @@ was built with that package. See the <a class="reference internal" href="Sectio
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nvt_asphere.html" class="btn btn-neutral float-right" title="fix nvt/asphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_sphere.html" class="btn btn-neutral" title="fix nve/sphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nvt_asphere.html b/doc/html/fix_nvt_asphere.html
index 473db13d7fb4a76565fbb9d46fa2adfcca287297..c714151232888c4dc6eacbd521c0cd94d88c7527 100644
--- a/doc/html/fix_nvt_asphere.html
+++ b/doc/html/fix_nvt_asphere.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nvt/body command" href="fix_nvt_body.html"/>
+ <link rel="prev" title="fix nve/tri command" href="fix_nve_tri.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nvt/asphere command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nvt_body.html" class="btn btn-neutral float-right" title="fix nvt/body command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_tri.html" class="btn btn-neutral" title="fix nve/tri command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -201,7 +441,7 @@ thermal degrees of freedom, and the bias is added back in.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -211,7 +451,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
<p>This fix writes the state of the Nose/Hoover thermostat to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>. See the <a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a>
@@ -255,6 +495,15 @@ shape attribute.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nvt_body.html" class="btn btn-neutral float-right" title="fix nvt/body command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nve_tri.html" class="btn btn-neutral" title="fix nve/tri command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nvt_body.html b/doc/html/fix_nvt_body.html
index 57ba66659d1063404082d4846fcb96d97cc455d8..c1420d54a8cce36ee0713991f2e1a4590cf0de3a 100644
--- a/doc/html/fix_nvt_body.html
+++ b/doc/html/fix_nvt_body.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nvt/manifold/rattle command" href="fix_nvt_manifold_rattle.html"/>
+ <link rel="prev" title="fix nvt/asphere command" href="fix_nvt_asphere.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nvt/body command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nvt/body command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nvt_manifold_rattle.html" class="btn btn-neutral float-right" title="fix nvt/manifold/rattle command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nvt_asphere.html" class="btn btn-neutral" title="fix nvt/asphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -198,7 +438,7 @@ thermal degrees of freedom, and the bias is added back in.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -208,7 +448,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
<p>This fix writes the state of the Nose/Hoover thermostat to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>. See the <a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a>
@@ -249,6 +489,15 @@ command.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nvt_manifold_rattle.html" class="btn btn-neutral float-right" title="fix nvt/manifold/rattle command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nvt_asphere.html" class="btn btn-neutral" title="fix nvt/asphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nvt_manifold_rattle.html b/doc/html/fix_nvt_manifold_rattle.html
index d20d96a1132afb6aff766aa578bbdf38e9fdfd6a..6fd2c2088ebc982ac6b5d54a6583239cd3eafc63 100644
--- a/doc/html/fix_nvt_manifold_rattle.html
+++ b/doc/html/fix_nvt_manifold_rattle.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nvt/sllod command" href="fix_nvt_sllod.html"/>
+ <link rel="prev" title="fix nvt/body command" href="fix_nvt_body.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nvt/manifold/rattle command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nvt/manifold/rattle command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nvt_sllod.html" class="btn btn-neutral float-right" title="fix nvt/sllod command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nvt_body.html" class="btn btn-neutral" title="fix nvt/body command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,15 +371,20 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">nvt</span><span class="o">/</span><span class="n">manifold</span><span class="o">/</span><span class="n">rattle</span> <span class="n">tol</span> <span class="n">maxit</span> <span class="n">manifold</span> <span class="n">manifold</span><span class="o">-</span><span class="n">args</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>nvt/manifold/rattle = style name of this fix command</li>
-<li>tol = tolerance to which Newton iteration must converge</li>
-<li>maxit = maximum number of iterations to perform</li>
-<li>manifold = name of the manifold</li>
-<li>manifold-args = parameters for the manifold</li>
-<li>one or more keyword/value pairs may be appended</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">nvt/manifold/rattle = style name of this fix command</p>
+</li>
+<li><p class="first">tol = tolerance to which Newton iteration must converge</p>
+</li>
+<li><p class="first">maxit = maximum number of iterations to perform</p>
+</li>
+<li><p class="first">manifold = name of the manifold</p>
+</li>
+<li><p class="first">manifold-args = parameters for the manifold</p>
+</li>
+<li><p class="first">one or more keyword/value pairs may be appended</p>
<pre class="literal-block">
keyword = <em>temp</em> or <em>tchain</em> or <em>every</em>
<em>temp</em> values = Tstart Tstop Tdamp
@@ -150,6 +395,8 @@ keyword = <em>temp</em> or <em>tchain</em> or <em>every</em>
<em>every</em> value = N
N = print info about iteration every N steps. N = 0 means no output
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -157,7 +404,7 @@ keyword = <em>temp</em> or <em>tchain</em> or <em>every</em>
</div>
<div class="section" id="description">
<h2>Description</h2>
-<p>This fix combines the RATTLE-based <a class="reference internal" href="fix_shake.html#andersen"><span class="std std-ref">(Andersen)</span></a> time integrator of <a class="reference internal" href="fix_nve_manifold_rattle.html"><span class="doc">fix nve/manifold/rattle</span></a> <a class="reference internal" href="manifolds.html#paquay"><span class="std std-ref">(Paquay)</span></a> with a Nose-Hoover-chain thermostat to sample the
+<p>This fix combines the RATTLE-based <a class="reference internal" href="fix_shake.html#andersen"><span class="std std-ref">(Andersen)</span></a> time integrator of <a class="reference internal" href="fix_nve_manifold_rattle.html"><span class="doc">fix nve/manifold/rattle</span></a> <a class="reference internal" href="#paquay3"><span class="std std-ref">(Paquay)</span></a> with a Nose-Hoover-chain thermostat to sample the
canonical ensemble of particles constrained to a curved surface (manifold). This sampling does suffer from discretization bias of O(dt).
For a list of currently supported manifolds and their parameters, see <a class="reference internal" href="manifolds.html"><span class="doc">manifolds</span></a></p>
<hr class="docutils" />
@@ -182,7 +429,7 @@ section for more info.</p>
<strong>Default:</strong> every = 0</p>
<hr class="docutils" />
<p id="andersen"><strong>(Andersen)</strong> Andersen, J. Comp. Phys. 52, 24, (1983).</p>
-<p id="paquay"><strong>(Paquay)</strong> Paquay and Kusters, Biophys. J., 110, 6, (2016).
+<p id="paquay3"><strong>(Paquay)</strong> Paquay and Kusters, Biophys. J., 110, 6, (2016).
preprint available at <a class="reference external" href="http://arxiv.org/abs/1411.3019/">arXiv:1411.3019</a>.</p>
</div>
</div>
@@ -192,6 +439,15 @@ preprint available at <a class="reference external" href="http://arxiv.org/abs/1
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nvt_sllod.html" class="btn btn-neutral float-right" title="fix nvt/sllod command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nvt_body.html" class="btn btn-neutral" title="fix nvt/body command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nvt_sllod.html b/doc/html/fix_nvt_sllod.html
index 09875bceb84f1b07a1e5c0083cdedf2621653542..4d74aeb12fdcbafe0add1529781858f35ad492bb 100644
--- a/doc/html/fix_nvt_sllod.html
+++ b/doc/html/fix_nvt_sllod.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nvt/sllod/eff command" href="fix_nvt_sllod_eff.html"/>
+ <link rel="prev" title="fix nvt/manifold/rattle command" href="fix_nvt_manifold_rattle.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nvt/sllod command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nvt_sllod_eff.html" class="btn btn-neutral float-right" title="fix nvt/sllod/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nvt_manifold_rattle.html" class="btn btn-neutral" title="fix nvt/manifold/rattle command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -226,7 +467,7 @@ thermal degrees of freedom, and the bias is added back in.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -236,7 +477,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
<p>This fix writes the state of the Nose/Hoover thermostat to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>. See the <a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a>
@@ -282,6 +523,15 @@ equilibration.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nvt_sllod_eff.html" class="btn btn-neutral float-right" title="fix nvt/sllod/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nvt_manifold_rattle.html" class="btn btn-neutral" title="fix nvt/manifold/rattle command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nvt_sllod_eff.html b/doc/html/fix_nvt_sllod_eff.html
index c175a68bdc8d0e67ba0a0dac8ed4075d2f556aa3..3711572e2b9489332902797a4e076ac3c2d3575b 100644
--- a/doc/html/fix_nvt_sllod_eff.html
+++ b/doc/html/fix_nvt_sllod_eff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix nvt/sphere command" href="fix_nvt_sphere.html"/>
+ <link rel="prev" title="fix nvt/sllod command" href="fix_nvt_sllod.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nvt/sllod/eff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nvt/sllod/eff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nvt_sphere.html" class="btn btn-neutral float-right" title="fix nvt/sphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nvt_sllod.html" class="btn btn-neutral" title="fix nvt/sllod command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -202,6 +443,15 @@ equilibration.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_nvt_sphere.html" class="btn btn-neutral float-right" title="fix nvt/sphere command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nvt_sllod.html" class="btn btn-neutral" title="fix nvt/sllod command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_nvt_sphere.html b/doc/html/fix_nvt_sphere.html
index 6a27b967ed8953fc1c706b10a9e5147cf8adb30b..63b7f66e81189374fff7f0fc20a74cae1a7a9312 100644
--- a/doc/html/fix_nvt_sphere.html
+++ b/doc/html/fix_nvt_sphere.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix oneway command" href="fix_oneway.html"/>
+ <link rel="prev" title="fix nvt/sllod/eff command" href="fix_nvt_sllod_eff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix nvt/sphere command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_oneway.html" class="btn btn-neutral float-right" title="fix oneway command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nvt_sllod_eff.html" class="btn btn-neutral" title="fix nvt/sllod/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -201,7 +441,7 @@ thermal degrees of freedom, and the bias is added back in.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -211,7 +451,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
<p>This fix writes the state of the Nose/Hoover thermostat to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>. See the <a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a>
@@ -252,6 +492,15 @@ be point particles.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_oneway.html" class="btn btn-neutral float-right" title="fix oneway command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nvt_sllod_eff.html" class="btn btn-neutral" title="fix nvt/sllod/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_oneway.html b/doc/html/fix_oneway.html
index bb5b2a052e0107a2fbe667c8ac5582cd65ccd733..48e68681f26f2b6fb250a226310e559cbe8999c5 100644
--- a/doc/html/fix_oneway.html
+++ b/doc/html/fix_oneway.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix orient/fcc command" href="fix_orient.html"/>
+ <link rel="prev" title="fix nvt/sphere command" href="fix_nvt_sphere.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix oneway command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix oneway command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_orient.html" class="btn btn-neutral float-right" title="fix orient/fcc command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nvt_sphere.html" class="btn btn-neutral" title="fix nvt/sphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -182,6 +422,15 @@ This fix is not invoked during <a class="reference internal" href="minimize.html
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_orient.html" class="btn btn-neutral float-right" title="fix orient/fcc command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_nvt_sphere.html" class="btn btn-neutral" title="fix nvt/sphere command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_orient.html b/doc/html/fix_orient.html
index 9b01605d28227a6b81a004b49f36c7648a031773..d9096b12d33a91683d644e20417a6cda16a4c903 100644
--- a/doc/html/fix_orient.html
+++ b/doc/html/fix_orient.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix phonon command" href="fix_phonon.html"/>
+ <link rel="prev" title="fix oneway command" href="fix_oneway.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,230 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-orient-bcc-command">fix orient/bcc command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +337,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix orient/fcc command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +350,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_phonon.html" class="btn btn-neutral float-right" title="fix phonon command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_oneway.html" class="btn btn-neutral" title="fix oneway command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -299,6 +538,15 @@ Angs.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_phonon.html" class="btn btn-neutral float-right" title="fix phonon command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_oneway.html" class="btn btn-neutral" title="fix oneway command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_phonon.html b/doc/html/fix_phonon.html
index 3094e830ae4e0e805dc4e2004b99c4b7fc6d2880..3df24b4202b4c56e2a2d241722d2eda3028822aa 100644
--- a/doc/html/fix_phonon.html
+++ b/doc/html/fix_phonon.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix pimd command" href="fix_pimd.html"/>
+ <link rel="prev" title="fix orient/fcc command" href="fix_orient.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix phonon command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix phonon command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_pimd.html" class="btn btn-neutral float-right" title="fix pimd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_orient.html" class="btn btn-neutral" title="fix orient/fcc command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,14 +372,18 @@
<pre class="literal-block">
fix ID group-ID phonon N Noutput Nwait map_file prefix keyword values ...
</pre>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>phonon = style name of this fix command</li>
-<li>N = measure the Green’s function every this many timesteps</li>
-<li>Noutput = output the dynamical matrix every this many measurements</li>
-<li>Nwait = wait this many timesteps before measuring</li>
-<li>map_file = <em>file</em> or <em>GAMMA</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">phonon = style name of this fix command</p>
+</li>
+<li><p class="first">N = measure the Green’s function every this many timesteps</p>
+</li>
+<li><p class="first">Noutput = output the dynamical matrix every this many measurements</p>
+</li>
+<li><p class="first">Nwait = wait this many timesteps before measuring</p>
+</li>
+<li><p class="first">map_file = <em>file</em> or <em>GAMMA</em></p>
<pre class="literal-block">
<em>file</em> is the file that contains the mapping info between atom ID and the lattice indices.
</pre>
@@ -147,17 +392,20 @@ fix ID group-ID phonon N Noutput Nwait map_file prefix keyword values ...
info can be generated internally. In this case, dynamical matrix at only the gamma-point
will/can be evaluated.
</pre>
-<ul class="simple">
-<li>prefix = prefix for output files</li>
-<li>one or none keyword/value pairs may be appended</li>
-<li>keyword = <em>sysdim</em> or <em>nasr</em></li>
-</ul>
+</li>
+<li><p class="first">prefix = prefix for output files</p>
+</li>
+<li><p class="first">one or none keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>sysdim</em> or <em>nasr</em></p>
<pre class="literal-block">
<em>sysdim</em> value = d
d = dimension of the system, usually the same as the MD model dimension
<em>nasr</em> value = n
n = number of iterations to enforce the acoustic sum rule
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -294,6 +542,15 @@ molecular dynamics simulations</em>, <a class="reference external" href="http://
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_pimd.html" class="btn btn-neutral float-right" title="fix pimd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_orient.html" class="btn btn-neutral" title="fix orient/fcc command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_pimd.html b/doc/html/fix_pimd.html
index 545be26b57f4866ebff836d9f9f7b241147884c1..0989a2b9f2509017c2ca2a832e634490dcd6664c 100644
--- a/doc/html/fix_pimd.html
+++ b/doc/html/fix_pimd.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix planeforce command" href="fix_planeforce.html"/>
+ <link rel="prev" title="fix phonon command" href="fix_phonon.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix pimd command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix pimd command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_planeforce.html" class="btn btn-neutral float-right" title="fix planeforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_phonon.html" class="btn btn-neutral" title="fix phonon command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +371,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">pimd</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>pimd = style name of this fix command</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>method</em> or <em>fmass</em> or <em>sp</em> or <em>temp</em> or <em>nhc</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">pimd = style name of this fix command</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>method</em> or <em>fmass</em> or <em>sp</em> or <em>temp</em> or <em>nhc</em></p>
<pre class="literal-block">
<em>method</em> value = <em>pimd</em> or <em>nmpimd</em> or <em>cmd</em>
<em>fmass</em> value = scaling factor on mass
@@ -144,6 +386,8 @@
<em>temp</em> value = temperature (temperarate units)
<em>nhc</em> value = Nc = number of chains in Nose-Hoover thermostat
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -286,6 +530,15 @@ Path Integrals, McGraw-Hill, New York (1965).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_planeforce.html" class="btn btn-neutral float-right" title="fix planeforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_phonon.html" class="btn btn-neutral" title="fix phonon command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_planeforce.html b/doc/html/fix_planeforce.html
index 83c023cc9eef5db8c106e67fa72b74178e87a82b..6755b4931c4e8875c007df1a6dd9221eac069060 100644
--- a/doc/html/fix_planeforce.html
+++ b/doc/html/fix_planeforce.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix poems" href="fix_poems.html"/>
+ <link rel="prev" title="fix pimd command" href="fix_pimd.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix planeforce command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix planeforce command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_poems.html" class="btn btn-neutral float-right" title="fix poems" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_pimd.html" class="btn btn-neutral" title="fix pimd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -176,6 +416,15 @@ invoked by the <a class="reference internal" href="minimize.html"><span class="d
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_poems.html" class="btn btn-neutral float-right" title="fix poems" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_pimd.html" class="btn btn-neutral" title="fix pimd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_poems.html b/doc/html/fix_poems.html
index f1dc2c297e8107ae5d524fcafcddd40efe459c81..072446aa6ccc3ff2ba08f8ef2abe729ee1e4242a 100644
--- a/doc/html/fix_poems.html
+++ b/doc/html/fix_poems.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix pour command" href="fix_pour.html"/>
+ <link rel="prev" title="fix planeforce command" href="fix_planeforce.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,230 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix poems</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +337,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix poems</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +350,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_pour.html" class="btn btn-neutral float-right" title="fix pour command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_planeforce.html" class="btn btn-neutral" title="fix planeforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -130,16 +369,19 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">poems</span> <span class="n">keyword</span> <span class="n">values</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>poems = style name of this fix command</li>
-<li>keyword = <em>group</em> or <em>file</em> or <em>molecule</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">poems = style name of this fix command</p>
+</li>
+<li><p class="first">keyword = <em>group</em> or <em>file</em> or <em>molecule</em></p>
<pre class="literal-block">
<em>group</em> values = list of group IDs
<em>molecule</em> values = none
<em>file</em> values = filename
</pre>
+</li>
+</ul>
<div class="section" id="examples">
<h2>Examples</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="mi">3</span> <span class="n">fluid</span> <span class="n">poems</span> <span class="n">group</span> <span class="n">clump1</span> <span class="n">clump2</span> <span class="n">clump3</span>
@@ -238,6 +480,15 @@ Engineering With Computers (2006). (<a class="reference external" href="http://d
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_pour.html" class="btn btn-neutral float-right" title="fix pour command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_planeforce.html" class="btn btn-neutral" title="fix planeforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_pour.html b/doc/html/fix_pour.html
index ee3f050be4ce1b862fa829eda39e74c1c2e128cb..a776cf0b4ccfa8e93113badc774371b19390eed7 100644
--- a/doc/html/fix_pour.html
+++ b/doc/html/fix_pour.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix press/berendsen command" href="fix_press_berendsen.html"/>
+ <link rel="prev" title="fix poems" href="fix_poems.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix pour command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix pour command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_press_berendsen.html" class="btn btn-neutral float-right" title="fix press/berendsen command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_poems.html" class="btn btn-neutral" title="fix poems" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,15 +372,20 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">pour</span> <span class="n">N</span> <span class="nb">type</span> <span class="n">seed</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>pour = style name of this fix command</li>
-<li>N = # of particles to insert</li>
-<li>type = atom type to assign to inserted particles (offset for molecule insertion)</li>
-<li>seed = random # seed (positive integer)</li>
-<li>one or more keyword/value pairs may be appended to args</li>
-<li>keyword = <em>region</em> or <em>diam</em> or <em>vol</em> or <em>rate</em> or <em>dens</em> or <em>vel</em> or <em>mol</em> or <em>rigid</em> or <em>shake</em> or <em>ignore</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">pour = style name of this fix command</p>
+</li>
+<li><p class="first">N = # of particles to insert</p>
+</li>
+<li><p class="first">type = atom type to assign to inserted particles (offset for molecule insertion)</p>
+</li>
+<li><p class="first">seed = random # seed (positive integer)</p>
+</li>
+<li><p class="first">one or more keyword/value pairs may be appended to args</p>
+</li>
+<li><p class="first">keyword = <em>region</em> or <em>diam</em> or <em>vol</em> or <em>rate</em> or <em>dens</em> or <em>vel</em> or <em>mol</em> or <em>rigid</em> or <em>shake</em> or <em>ignore</em></p>
<pre class="literal-block">
<em>region</em> value = region-ID
region-ID = ID of region to use as insertion volume
@@ -181,6 +427,8 @@
skip any line or triangle particles when detecting possible
overlaps with inserted particles
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -367,6 +615,15 @@ Additional option defaults are diam = one 1.0, dens = 1.0 1.0, vol =
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_press_berendsen.html" class="btn btn-neutral float-right" title="fix press/berendsen command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_poems.html" class="btn btn-neutral" title="fix poems" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_press_berendsen.html b/doc/html/fix_press_berendsen.html
index 5afff5a4f343a1a81cb705be20313a84a3ddb801..44cf747d20df4679138123c3459d57b3d1812c8d 100644
--- a/doc/html/fix_press_berendsen.html
+++ b/doc/html/fix_press_berendsen.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix print command" href="fix_print.html"/>
+ <link rel="prev" title="fix pour command" href="fix_pour.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix press/berendsen command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix press/berendsen command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_print.html" class="btn btn-neutral float-right" title="fix print command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_pour.html" class="btn btn-neutral" title="fix pour command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,10 +372,10 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">press</span><span class="o">/</span><span class="n">berendsen</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>press/berendsen = style name of this fix command</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">press/berendsen = style name of this fix command</p>
<pre class="literal-block">
one or more keyword value pairs may be appended
keyword = <em>iso</em> or <em>aniso</em> or <em>x</em> or <em>y</em> or <em>z</em> or <em>couple</em> or <em>dilate</em> or <em>modulus</em>
@@ -148,6 +389,8 @@ keyword = <em>iso</em> or <em>aniso</em> or <em>x</em> or <em>y</em> or <em>z</e
<em>modulus</em> value = bulk modulus of system (pressure units)
<em>dilate</em> value = <em>all</em> or <em>partial</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -332,6 +575,15 @@ Phys, 81, 3684 (1984).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_print.html" class="btn btn-neutral float-right" title="fix print command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_pour.html" class="btn btn-neutral" title="fix pour command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_print.html b/doc/html/fix_print.html
index 85cd254494e1c2d4bf4af2839567cd38ff0f08b2..35600e587e0d945a102d3d17c2432cf3c89999ed 100644
--- a/doc/html/fix_print.html
+++ b/doc/html/fix_print.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix property/atom command" href="fix_property_atom.html"/>
+ <link rel="prev" title="fix press/berendsen command" href="fix_press_berendsen.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix print command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix print command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_property_atom.html" class="btn btn-neutral float-right" title="fix property/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_press_berendsen.html" class="btn btn-neutral" title="fix press/berendsen command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,14 +372,18 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="nb">print</span> <span class="n">N</span> <span class="n">string</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>print = style name of this fix command</li>
-<li>N = print every N steps</li>
-<li>string = text string to print with optional variable names</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>file</em> or <em>append</em> or <em>screen</em> or <em>title</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">print = style name of this fix command</p>
+</li>
+<li><p class="first">N = print every N steps</p>
+</li>
+<li><p class="first">string = text string to print with optional variable names</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>file</em> or <em>append</em> or <em>screen</em> or <em>title</em></p>
<pre class="literal-block">
<em>file</em> value = filename
<em>append</em> value = filename
@@ -146,6 +391,8 @@
<em>title</em> value = string
string = text to print as 1st line of output file
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -214,6 +461,15 @@ as described above.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_property_atom.html" class="btn btn-neutral float-right" title="fix property/atom command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_press_berendsen.html" class="btn btn-neutral" title="fix press/berendsen command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_property_atom.html b/doc/html/fix_property_atom.html
index 81dc2b66116f600b419a86191ac745fd2693e441..e101f8229084826e72802819ac5cbf232a12d15e 100644
--- a/doc/html/fix_property_atom.html
+++ b/doc/html/fix_property_atom.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix qbmsst command" href="fix_qbmsst.html"/>
+ <link rel="prev" title="fix print command" href="fix_print.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix property/atom command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix property/atom command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_qbmsst.html" class="btn btn-neutral float-right" title="fix qbmsst command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_print.html" class="btn btn-neutral" title="fix print command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,11 +372,12 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="nb">property</span><span class="o">/</span><span class="n">atom</span> <span class="n">vec1</span> <span class="n">vec2</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>property/atom = style name of this fix command</li>
-<li>vec1,vec2,... = <em>mol</em> or <em>q</em> or <em>rmass</em> or <em>i_name</em> or <em>d_name</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">property/atom = style name of this fix command</p>
+</li>
+<li><p class="first">vec1,vec2,... = <em>mol</em> or <em>q</em> or <em>rmass</em> or <em>i_name</em> or <em>d_name</em></p>
<pre class="literal-block">
<em>mol</em> = molecule IDs
<em>q</em> = charge
@@ -143,13 +385,15 @@
<em>i_name</em> = new integer vector referenced by name
<em>d_name</em> = new floating-point vector referenced by name
</pre>
-<ul class="simple">
-<li>zero of more keyword/value pairs may be appended</li>
-<li>keyword = <em>ghost</em></li>
-</ul>
+</li>
+<li><p class="first">zero of more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>ghost</em></p>
<pre class="literal-block">
<em>ghost</em> value = <em>no</em> or <em>yes</em> for whether ghost atom info in communicated
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -370,6 +614,15 @@ This fix is not invoked during <a class="reference internal" href="minimize.html
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_qbmsst.html" class="btn btn-neutral float-right" title="fix qbmsst command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_print.html" class="btn btn-neutral" title="fix print command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_qbmsst.html b/doc/html/fix_qbmsst.html
index f3dca0ee470d8e7241267bfb3177e466adde1002..8ac41afbe5ab932d4fc6f1268cff186ef6a6e925 100644
--- a/doc/html/fix_qbmsst.html
+++ b/doc/html/fix_qbmsst.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix qeq/point command" href="fix_qeq.html"/>
+ <link rel="prev" title="fix property/atom command" href="fix_property_atom.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix qbmsst command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix qbmsst command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_qeq.html" class="btn btn-neutral float-right" title="fix qeq/point command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_property_atom.html" class="btn btn-neutral" title="fix property/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,14 +372,18 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">qbmsst</span> <span class="nb">dir</span> <span class="n">shockvel</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>qbmsst = style name of this fix</li>
-<li>dir = <em>x</em> or <em>y</em> or <em>z</em></li>
-<li>shockvel = shock velocity (strictly positive, velocity units)</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>q</em> or <em>mu</em> or <em>p0</em> or <em>v0</em> or <em>e0</em> or <em>tscale</em> or <em>damp</em> or <em>seed</em>or <em>f_max</em> or <em>N_f</em> or <em>eta</em> or <em>beta</em> or <em>T_init</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">qbmsst = style name of this fix</p>
+</li>
+<li><p class="first">dir = <em>x</em> or <em>y</em> or <em>z</em></p>
+</li>
+<li><p class="first">shockvel = shock velocity (strictly positive, velocity units)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>q</em> or <em>mu</em> or <em>p0</em> or <em>v0</em> or <em>e0</em> or <em>tscale</em> or <em>damp</em> or <em>seed</em>or <em>f_max</em> or <em>N_f</em> or <em>eta</em> or <em>beta</em> or <em>T_init</em></p>
<pre class="literal-block">
<em>q</em> value = cell mass-like parameter (mass^2/distance^4 units)
<em>mu</em> value = artificial viscosity (mass/distance/time units)
@@ -154,6 +399,8 @@
<em>beta</em> value = the quantum temperature is updated every beta time steps (positive integer)
<em>T_init</em> value = quantum temperature for the initial state (temperature units)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -317,6 +564,15 @@ T_init=300.0. e0, p0, and v0 are calculated on the first step.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_qeq.html" class="btn btn-neutral float-right" title="fix qeq/point command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_property_atom.html" class="btn btn-neutral" title="fix property/atom command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_qeq.html b/doc/html/fix_qeq.html
index 05e428f6719c0286880e0f4477100698b2c92e3c..979261442d6337429192b64346b2dec8b9008eff 100644
--- a/doc/html/fix_qeq.html
+++ b/doc/html/fix_qeq.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix qeq/comb command" href="fix_qeq_comb.html"/>
+ <link rel="prev" title="fix qbmsst command" href="fix_qbmsst.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-qeq-fire-command">fix qeq/fire command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix qeq/point command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_qeq_comb.html" class="btn btn-neutral float-right" title="fix qeq/comb command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_qbmsst.html" class="btn btn-neutral" title="fix qbmsst command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -143,22 +383,31 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">style</span> <span class="n">Nevery</span> <span class="n">cutoff</span> <span class="n">tolerance</span> <span class="n">maxiter</span> <span class="n">qfile</span> <span class="n">keyword</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>style = <em>qeq/point</em> or <em>qeq/shielded</em> or <em>qeq/slater</em> or <em>qeq/dynamic</em> or <em>qeq/fire</em></li>
-<li>Nevery = perform charge equilibration every this many steps</li>
-<li>cutoff = global cutoff for charge-charge interactions (distance unit)</li>
-<li>tolerance = precision to which charges will be equilibrated</li>
-<li>maxiter = maximum iterations to perform charge equilibration</li>
-<li>qfile = a filename with QEq parameters</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>alpha</em> or <em>qdamp</em> or <em>qstep</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">style = <em>qeq/point</em> or <em>qeq/shielded</em> or <em>qeq/slater</em> or <em>qeq/dynamic</em> or <em>qeq/fire</em></p>
+</li>
+<li><p class="first">Nevery = perform charge equilibration every this many steps</p>
+</li>
+<li><p class="first">cutoff = global cutoff for charge-charge interactions (distance unit)</p>
+</li>
+<li><p class="first">tolerance = precision to which charges will be equilibrated</p>
+</li>
+<li><p class="first">maxiter = maximum iterations to perform charge equilibration</p>
+</li>
+<li><p class="first">qfile = a filename with QEq parameters</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>alpha</em> or <em>qdamp</em> or <em>qstep</em></p>
<pre class="literal-block">
<em>alpha</em> value = Slater type orbital exponent (qeq/slater only)
<em>qdamp</em> value = damping factor for damped dynamics charge solver (qeq/dynamic and qeq/fire only)
<em>qstep</em> value = time step size for damped dynamics charge solver (qeq/dynamic and qeq/fire only)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -327,6 +576,15 @@ Physical Chemistry, 105, 9396-9049 (2001)</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_qeq_comb.html" class="btn btn-neutral float-right" title="fix qeq/comb command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+ <a href="fix_qbmsst.html" class="btn btn-neutral" title="fix qbmsst command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
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diff --git a/doc/html/fix_qeq_comb.html b/doc/html/fix_qeq_comb.html
index 3bf7a12a5c1476df07f0a19734c864df45b5ceef..6c08dd52fcb681ddf03e34b464a715e6283855c9 100644
--- a/doc/html/fix_qeq_comb.html
+++ b/doc/html/fix_qeq_comb.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix qeq/reax command" href="fix_qeq_reax.html"/>
+ <link rel="prev" title="fix qeq/point command" href="fix_qeq.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
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+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix qeq/comb command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_qeq_reax.html" class="btn btn-neutral float-right" title="fix qeq/reax command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_qeq.html" class="btn btn-neutral" title="fix qeq/point command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -134,18 +375,24 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">qeq</span><span class="o">/</span><span class="n">comb</span> <span class="n">Nevery</span> <span class="n">precision</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>qeq/comb = style name of this fix command</li>
-<li>Nevery = perform charge equilibration every this many steps</li>
-<li>precision = convergence criterion for charge equilibration</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>file</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">qeq/comb = style name of this fix command</p>
+</li>
+<li><p class="first">Nevery = perform charge equilibration every this many steps</p>
+</li>
+<li><p class="first">precision = convergence criterion for charge equilibration</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>file</em></p>
<pre class="literal-block">
<em>file</em> value = filename
filename = name of file to write QEQ equilibration info to
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -183,7 +430,7 @@ equilibration calculation is written to the specifed file.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -193,7 +440,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -237,6 +484,15 @@ Phillpot, Phys Rev B, 81, 125328 (2010).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_qeq_reax.html" class="btn btn-neutral float-right" title="fix qeq/reax command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_qeq.html" class="btn btn-neutral" title="fix qeq/point command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_qeq_reax.html b/doc/html/fix_qeq_reax.html
index 665de2e845ce5669a828ef569347edebf97b9088..07cf9ad0c835480dabfd21994e9d1befbdba3e73 100644
--- a/doc/html/fix_qeq_reax.html
+++ b/doc/html/fix_qeq_reax.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix qmmm command" href="fix_qmmm.html"/>
+ <link rel="prev" title="fix qeq/comb command" href="fix_qeq_comb.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix qeq/reax command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_qmmm.html" class="btn btn-neutral float-right" title="fix qmmm command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_qeq_comb.html" class="btn btn-neutral" title="fix qeq/comb command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -189,7 +429,7 @@ be used with the <em>start/stop</em> keywords of the <a class="reference interna
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -199,7 +439,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -229,6 +469,15 @@ be used for periodic cell dimensions less than 10 angstroms.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_qmmm.html" class="btn btn-neutral float-right" title="fix qmmm command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_qeq_comb.html" class="btn btn-neutral" title="fix qeq/comb command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_qmmm.html b/doc/html/fix_qmmm.html
index fa8cf47576b4d4c2ff04a6b797878ae08cc24caf..e0278a402290b854ade368c88fd3b1e7f265f1de 100644
--- a/doc/html/fix_qmmm.html
+++ b/doc/html/fix_qmmm.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix qtb command" href="fix_qtb.html"/>
+ <link rel="prev" title="fix qeq/reax command" href="fix_qeq_reax.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,230 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix qmmm command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +337,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix qmmm command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +350,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_qtb.html" class="btn btn-neutral float-right" title="fix qtb command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_qeq_reax.html" class="btn btn-neutral" title="fix qeq/reax command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -181,6 +420,15 @@ executable. See the lib/qmmm/README file for details.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_qtb.html" class="btn btn-neutral float-right" title="fix qtb command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_qeq_reax.html" class="btn btn-neutral" title="fix qeq/reax command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_qtb.html b/doc/html/fix_qtb.html
index cffd9b27649c7bdfdfbe1ca0ac828b114894ee41..ea05b6486e303972c202fec7a5aa2aa849df07df 100644
--- a/doc/html/fix_qtb.html
+++ b/doc/html/fix_qtb.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix reax/bonds command" href="fix_reax_bonds.html"/>
+ <link rel="prev" title="fix qmmm command" href="fix_qmmm.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix qtb command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix qtb command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_reax_bonds.html" class="btn btn-neutral float-right" title="fix reax/bonds command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_qmmm.html" class="btn btn-neutral" title="fix qmmm command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +372,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">qtb</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>qtb = style name of this fix</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>temp</em> or <em>damp</em> or <em>seed</em> or <em>f_max</em> or <em>N_f</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">qtb = style name of this fix</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>temp</em> or <em>damp</em> or <em>seed</em> or <em>f_max</em> or <em>N_f</em></p>
<pre class="literal-block">
<em>temp</em> value = target quantum temperature (temperature units)
<em>damp</em> value = damping parameter (time units) inverse of friction <i>&gamma</i>;
@@ -144,6 +387,8 @@
<em>f_max</em> value = upper cutoff frequency of the vibration spectrum (1/time units)
<em>N_f</em> value = number of frequency bins (positive integer)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -282,6 +527,15 @@ Lett, 103, 190601 (2009).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_reax_bonds.html" class="btn btn-neutral float-right" title="fix reax/bonds command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_qmmm.html" class="btn btn-neutral" title="fix qmmm command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_reax_bonds.html b/doc/html/fix_reax_bonds.html
index e8c6d12136198d719f1caef45d1f5858f9f6de9b..aabf41820255db219fdb8398ab17fc859adfb7b6 100644
--- a/doc/html/fix_reax_bonds.html
+++ b/doc/html/fix_reax_bonds.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix reax/c/species command" href="fix_reaxc_species.html"/>
+ <link rel="prev" title="fix qtb command" href="fix_qtb.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-reax-c-bonds-command">fix reax/c/bonds command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix reax/bonds command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_reaxc_species.html" class="btn btn-neutral float-right" title="fix reax/c/species command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_qtb.html" class="btn btn-neutral" title="fix qtb command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -187,6 +427,15 @@ for more info.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_reaxc_species.html" class="btn btn-neutral float-right" title="fix reax/c/species command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_qtb.html" class="btn btn-neutral" title="fix qtb command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_reaxc_species.html b/doc/html/fix_reaxc_species.html
index fb72dd69c45e4352bd4d838cfdf518901f95b310..7bb4c8c250061acf57e402cd68335f5f99c6186a 100644
--- a/doc/html/fix_reaxc_species.html
+++ b/doc/html/fix_reaxc_species.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix recenter command" href="fix_recenter.html"/>
+ <link rel="prev" title="fix reax/bonds command" href="fix_reax_bonds.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix reax/c/species command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix reax/c/species command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_recenter.html" class="btn btn-neutral float-right" title="fix recenter command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_reax_bonds.html" class="btn btn-neutral" title="fix reax/bonds command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,16 +372,22 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">reax</span><span class="o">/</span><span class="n">c</span><span class="o">/</span><span class="n">species</span> <span class="n">Nevery</span> <span class="n">Nrepeat</span> <span class="n">Nfreq</span> <span class="n">filename</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>reax/c/species = style name of this command</li>
-<li>Nevery = sample bond-order every this many timesteps</li>
-<li>Nrepeat = # of bond-order samples used for calculating averages</li>
-<li>Nfreq = calculate average bond-order every this many timesteps</li>
-<li>filename = name of output file</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>cutoff</em> or <em>element</em> or <em>position</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">reax/c/species = style name of this command</p>
+</li>
+<li><p class="first">Nevery = sample bond-order every this many timesteps</p>
+</li>
+<li><p class="first">Nrepeat = # of bond-order samples used for calculating averages</p>
+</li>
+<li><p class="first">Nfreq = calculate average bond-order every this many timesteps</p>
+</li>
+<li><p class="first">filename = name of output file</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>cutoff</em> or <em>element</em> or <em>position</em></p>
<pre class="literal-block">
<em>cutoff</em> value = I J Cutoff
I, J = atom types
@@ -150,6 +397,8 @@
posfreq = write position files every this many timestep
filepos = name of position output file
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -263,6 +512,15 @@ by default.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_recenter.html" class="btn btn-neutral float-right" title="fix recenter command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_reax_bonds.html" class="btn btn-neutral" title="fix reax/bonds command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_recenter.html b/doc/html/fix_recenter.html
index 59a3c11e74d4aa23cae2e90826d73977a0560b4a..a990f2df120aed1bc81f37e6233823bab9a7c4b1 100644
--- a/doc/html/fix_recenter.html
+++ b/doc/html/fix_recenter.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix restrain command" href="fix_restrain.html"/>
+ <link rel="prev" title="fix reax/c/species command" href="fix_reaxc_species.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix recenter command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix recenter command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_restrain.html" class="btn btn-neutral float-right" title="fix restrain command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_reaxc_species.html" class="btn btn-neutral" title="fix reax/c/species command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,18 +372,23 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">recenter</span> <span class="n">x</span> <span class="n">y</span> <span class="n">z</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>recenter = style name of this fix command</li>
-<li>x,y,z = constrain center-of-mass to these coords (distance units), any coord can also be NULL or INIT (see below)</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>shift</em> or <em>units</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">recenter = style name of this fix command</p>
+</li>
+<li><p class="first">x,y,z = constrain center-of-mass to these coords (distance units), any coord can also be NULL or INIT (see below)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>shift</em> or <em>units</em></p>
<pre class="literal-block">
<em>shift</em> value = group-ID
group-ID = group of atoms whose coords are shifted
<em>units</em> value = <em>box</em> or <em>lattice</em> or <em>fraction</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -246,6 +492,15 @@ move atoms a large distance.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_restrain.html" class="btn btn-neutral float-right" title="fix restrain command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_reaxc_species.html" class="btn btn-neutral" title="fix reax/c/species command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_restrain.html b/doc/html/fix_restrain.html
index 3612f2e3fd027651e38dbabfc224872c3346a3b3..42af2cff093f1c2a3516418820ed8b09112c7417 100644
--- a/doc/html/fix_restrain.html
+++ b/doc/html/fix_restrain.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix rigid command" href="fix_rigid.html"/>
+ <link rel="prev" title="fix recenter command" href="fix_recenter.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,230 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix restrain command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +337,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix restrain command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +350,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_rigid.html" class="btn btn-neutral float-right" title="fix rigid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_recenter.html" class="btn btn-neutral" title="fix recenter command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +370,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">restrain</span> <span class="n">keyword</span> <span class="n">args</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>restrain = style name of this fix command</li>
-<li>one or more keyword/arg pairs may be appended</li>
-<li>keyword = <em>bond</em> or <em>angle</em> or <em>dihedral</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">restrain = style name of this fix command</p>
+</li>
+<li><p class="first">one or more keyword/arg pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>bond</em> or <em>angle</em> or <em>dihedral</em></p>
<pre class="literal-block">
<em>bond</em> args = atom1 atom2 Kstart Kstop r0
atom1,atom2 = IDs of 2 atoms in bond
@@ -151,6 +392,8 @@
Kstart,Kstop = restraint coefficients at start/end of run (energy units)
phi0 = equilibrium dihedral angle phi (degrees)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -308,6 +551,15 @@ the <a class="reference internal" href="run.html"><span class="doc">run</span></
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_rigid.html" class="btn btn-neutral float-right" title="fix rigid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_recenter.html" class="btn btn-neutral" title="fix recenter command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_rigid.html b/doc/html/fix_rigid.html
index 3dc4ef90531c0899ac3400994955726361ccf46d..e876d52089c38b0d93b5c27bebcef3744c048eb7 100644
--- a/doc/html/fix_rigid.html
+++ b/doc/html/fix_rigid.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix rx command" href="fix_rx.html"/>
+ <link rel="prev" title="fix restrain command" href="fix_restrain.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-rigid-nph-small-command">fix rigid/nph/small command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix rigid command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_rx.html" class="btn btn-neutral float-right" title="fix rx command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_restrain.html" class="btn btn-neutral" title="fix restrain command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -158,11 +399,12 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">style</span> <span class="n">bodystyle</span> <span class="n">args</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>style = <em>rigid</em> or <em>rigid/nve</em> or <em>rigid/nvt</em> or <em>rigid/npt</em> or <em>rigid/nph</em> or <em>rigid/small</em> or <em>rigid/nve/small</em> or <em>rigid/nvt/small</em> or <em>rigid/npt/small</em> or <em>rigid/nph/small</em></li>
-<li>bodystyle = <em>single</em> or <em>molecule</em> or <em>group</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">style = <em>rigid</em> or <em>rigid/nve</em> or <em>rigid/nvt</em> or <em>rigid/npt</em> or <em>rigid/nph</em> or <em>rigid/small</em> or <em>rigid/nve/small</em> or <em>rigid/nvt/small</em> or <em>rigid/npt/small</em> or <em>rigid/nph/small</em></p>
+</li>
+<li><p class="first">bodystyle = <em>single</em> or <em>molecule</em> or <em>group</em></p>
<pre class="literal-block">
<em>single</em> args = none
<em>molecule</em> args = none
@@ -170,10 +412,10 @@
N = # of groups
groupID1, groupID2, ... = list of N group IDs
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>langevin</em> or <em>temp</em> or <em>iso</em> or <em>aniso</em> or <em>x</em> or <em>y</em> or <em>z</em> or <em>couple</em> or <em>tparam</em> or <em>pchain</em> or <em>dilate</em> or <em>force</em> or <em>torque</em> or <em>infile</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>langevin</em> or <em>temp</em> or <em>iso</em> or <em>aniso</em> or <em>x</em> or <em>y</em> or <em>z</em> or <em>couple</em> or <em>tparam</em> or <em>pchain</em> or <em>dilate</em> or <em>force</em> or <em>torque</em> or <em>infile</em></p>
<pre class="literal-block">
<em>langevin</em> values = Tstart Tstop Tperiod seed
Tstart,Tstop = desired temperature at start/stop of run (temperature units)
@@ -208,6 +450,8 @@
<em>mol</em> value = template-ID
template-ID = ID of molecule template specified in a separate <a class="reference internal" href="molecule.html"><span class="doc">molecule</span></a> command
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -733,7 +977,7 @@ rigid/nvt.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -743,7 +987,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -862,6 +1106,15 @@ J Chem Phys, 116, 8649 (2002).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_rx.html" class="btn btn-neutral float-right" title="fix rx command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_restrain.html" class="btn btn-neutral" title="fix restrain command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_rx.html b/doc/html/fix_rx.html
index 6d337133f85f60f4c145f0c43c163267744a81b4..a92b79a705c913be57fd740a8c6859d9c2808717 100644
--- a/doc/html/fix_rx.html
+++ b/doc/html/fix_rx.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix saed/vtk command" href="fix_saed_vtk.html"/>
+ <link rel="prev" title="fix rigid command" href="fix_rigid.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix rx command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix rx command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_saed_vtk.html" class="btn btn-neutral float-right" title="fix saed/vtk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_rigid.html" class="btn btn-neutral" title="fix rigid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -190,7 +430,7 @@ Note that more than min_steps ODE steps may be taken depending upon the ODE stif
but no more than max_steps will be taken. If max_steps is reached, an error warning
is printed and the simulation is stopped.</p>
<p>After each ODE step, the solution error <em>e</em> is tested and weighted using the absTol
-and relTol values. The error vector is weighted as <em>e</em> / (relTol * <a href="#id1"><span class="problematic" id="id2">|</span></a><em>u</em>| + absTol)
+and relTol values. The error vector is weighted as <em>e</em> / (relTol * | <em>u</em> | + absTol)
where <em>u</em> is the solution vector. If the norm of the error is <= 1, the solution is
accepted, <em>h</em> is increased by a proportional amount, and the next ODE step is begun.
Otherwise, <em>h</em> is shrunk and the ODE step is repeated.</p>
@@ -302,6 +542,15 @@ enthalpy DPD simulation.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_saed_vtk.html" class="btn btn-neutral float-right" title="fix saed/vtk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_rigid.html" class="btn btn-neutral" title="fix rigid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_saed_vtk.html b/doc/html/fix_saed_vtk.html
index 08de66a8ebda2b114d09f0cface0a956f7d1de7c..44c767a97c0e801a911a71f6489d384628d47b1e 100644
--- a/doc/html/fix_saed_vtk.html
+++ b/doc/html/fix_saed_vtk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix setforce command" href="fix_setforce.html"/>
+ <link rel="prev" title="fix rx command" href="fix_rx.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix saed/vtk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix saed/vtk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_setforce.html" class="btn btn-neutral float-right" title="fix setforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_rx.html" class="btn btn-neutral" title="fix rx command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,14 +372,18 @@
<pre class="literal-block">
fix ID group-ID saed/vtk Nevery Nrepeat Nfreak c_ID attribute args ... keyword args ...
</pre>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>saed/vtk = style name of this fix command</li>
-<li>Nevery = use input values every this many timesteps</li>
-<li>Nrepeat = # of times to use input values for calculating averages</li>
-<li>Nfreq = calculate averages every this many timesteps</li>
-<li>c_ID = saed compute ID</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">saed/vtk = style name of this fix command</p>
+</li>
+<li><p class="first">Nevery = use input values every this many timesteps</p>
+</li>
+<li><p class="first">Nrepeat = # of times to use input values for calculating averages</p>
+</li>
+<li><p class="first">Nfreq = calculate averages every this many timesteps</p>
+</li>
+<li><p class="first">c_ID = saed compute ID</p>
<pre class="literal-block">
keyword = <em>file</em> or <em>ave</em> or <em>start</em> or <em>file</em> or <em>overwrite</em>:l
<em>ave</em> args = <em>one</em> or <em>running</em> or <em>window M</em>
@@ -151,6 +396,8 @@ keyword = <em>file</em> or <em>ave</em> or <em>start</em> or <em>file</em> or <e
filename = name of file to output time averages to
<em>overwrite</em> arg = none = overwrite output file with only latest output
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -293,6 +540,15 @@ associated <a class="reference internal" href="compute_saed.html"><span class="d
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_setforce.html" class="btn btn-neutral float-right" title="fix setforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_rx.html" class="btn btn-neutral" title="fix rx command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_setforce.html b/doc/html/fix_setforce.html
index 3d3ee5d72f8f40bfe8e0b1bbe59f48397026ed37..64f270e877d235fd95fa27806b93f0b39433cc95 100644
--- a/doc/html/fix_setforce.html
+++ b/doc/html/fix_setforce.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix shake command" href="fix_shake.html"/>
+ <link rel="prev" title="fix saed/vtk command" href="fix_saed_vtk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-setforce-kk-command">fix setforce/kk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix setforce command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_shake.html" class="btn btn-neutral float-right" title="fix shake command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_saed_vtk.html" class="btn btn-neutral" title="fix saed/vtk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -134,18 +374,24 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">setforce</span> <span class="n">fx</span> <span class="n">fy</span> <span class="n">fz</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>setforce = style name of this fix command</li>
-<li>fx,fy,fz = force component values</li>
-<li>any of fx,fy,fz can be a variable (see below)</li>
-<li>zero or more keyword/value pairs may be appended to args</li>
-<li>keyword = <em>region</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">setforce = style name of this fix command</p>
+</li>
+<li><p class="first">fx,fy,fz = force component values</p>
+</li>
+<li><p class="first">any of fx,fy,fz can be a variable (see below)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended to args</p>
+</li>
+<li><p class="first">keyword = <em>region</em></p>
<pre class="literal-block">
<em>region</em> value = region-ID
region-ID = ID of region atoms must be in to have added force
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -187,7 +433,7 @@ to it.</p>
<p>Styles with a r <em>kk</em> suffix are functionally the same as the
corresponding style without the suffix. They have been optimized to
run faster, depending on your available hardware, as discussed in
-<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual. The
+<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual. The
accelerated styles take the same arguments and should produce the same
results, except for round-off and precision issues.</p>
<p>The region keyword is also supported by Kokkos, but a Kokkos-enabled
@@ -198,7 +444,7 @@ only enabled if LAMMPS was built with that package. See the <a class="reference
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -239,6 +485,15 @@ non-zero force to atoms during a minimization.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_shake.html" class="btn btn-neutral float-right" title="fix shake command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_saed_vtk.html" class="btn btn-neutral" title="fix saed/vtk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_shake.html b/doc/html/fix_shake.html
index 6c279062d031114be714d07c8562ebfea3319851..4233578699c55a0fa779bdcd300a3e94f9abd548 100644
--- a/doc/html/fix_shake.html
+++ b/doc/html/fix_shake.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix shardlow command" href="fix_shardlow.html"/>
+ <link rel="prev" title="fix setforce command" href="fix_setforce.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,230 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-rattle-command">fix rattle command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +337,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix shake command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +350,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_shardlow.html" class="btn btn-neutral float-right" title="fix shardlow command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_setforce.html" class="btn btn-neutral" title="fix setforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -134,29 +373,36 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">style</span> <span class="n">tol</span> <span class="nb">iter</span> <span class="n">N</span> <span class="n">constraint</span> <span class="n">values</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>style = shake or rattle = style name of this fix command</li>
-<li>tol = accuracy tolerance of SHAKE solution</li>
-<li>iter = max # of iterations in each SHAKE solution</li>
-<li>N = print SHAKE statistics every this many timesteps (0 = never)</li>
-<li>one or more constraint/value pairs are appended</li>
-<li>constraint = <em>b</em> or <em>a</em> or <em>t</em> or <em>m</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">style = shake or rattle = style name of this fix command</p>
+</li>
+<li><p class="first">tol = accuracy tolerance of SHAKE solution</p>
+</li>
+<li><p class="first">iter = max # of iterations in each SHAKE solution</p>
+</li>
+<li><p class="first">N = print SHAKE statistics every this many timesteps (0 = never)</p>
+</li>
+<li><p class="first">one or more constraint/value pairs are appended</p>
+</li>
+<li><p class="first">constraint = <em>b</em> or <em>a</em> or <em>t</em> or <em>m</em></p>
<pre class="literal-block">
<em>b</em> values = one or more bond types
<em>a</em> values = one or more angle types
<em>t</em> values = one or more atom types
<em>m</em> value = one or more mass values
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>mol</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>mol</em></p>
<pre class="literal-block">
<em>mol</em> value = template-ID
template-ID = ID of molecule template specified in a separate <a class="reference internal" href="molecule.html"><span class="doc">molecule</span></a> command
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -262,7 +508,7 @@ info of atoms in the molecule.</p>
<p>Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
-<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual. The
+<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual. The
accelerated styles take the same arguments and should produce the same
results, except for round-off and precision issues.</p>
<p>These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
@@ -271,7 +517,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>RATTLE:</strong></p>
@@ -324,6 +570,15 @@ J of Comp Phys, 23, 327-341 (1977).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_shardlow.html" class="btn btn-neutral float-right" title="fix shardlow command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_setforce.html" class="btn btn-neutral" title="fix setforce command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_shardlow.html b/doc/html/fix_shardlow.html
index 204f18df5850b2ccca3dad62c74850b5c7077709..8eb4aa132e10ef0d511b593d623da2d45b652654 100644
--- a/doc/html/fix_shardlow.html
+++ b/doc/html/fix_shardlow.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix smd command" href="fix_smd.html"/>
+ <link rel="prev" title="fix shake command" href="fix_shake.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix shardlow command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix shardlow command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_smd.html" class="btn btn-neutral float-right" title="fix smd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_shake.html" class="btn btn-neutral" title="fix shake command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -152,7 +392,7 @@ in conjunction with a deterministic integrator (e.g. <a class="reference interna
integration of the dissipative and random forces is performed prior to
the deterministic integration of the conservative force. Further
details regarding the method are provided in <a class="reference internal" href="pair_dpd_fdt.html#lisal"><span class="std std-ref">(Lisal)</span></a> and
-<a class="reference internal" href="fix_eos_cv.html#larentzos"><span class="std std-ref">(Larentzos)</span></a>.</p>
+<a class="reference internal" href="#larentzos1"><span class="std std-ref">(Larentzos1)</span></a>.</p>
<p>The fix <em>shardlow</em> must be used with the <a class="reference internal" href="pair_style.html"><span class="doc">pair_style dpd/fdt</span></a> or <a class="reference internal" href="pair_style.html"><span class="doc">pair_style dpd/fdt/energy</span></a> command to properly initialize the
fluctuation-dissipation theorem parameter(s) sigma (and kappa, if
necessary).</p>
@@ -190,11 +430,11 @@ requested.</p>
particle dynamics as isothermal, isobaric, isoenergetic, and
isoenthalpic conditions using Shardlow-like splitting algorithms.”,
J. Chem. Phys., 135, 204105 (2011).</p>
-<p id="larentzos"><strong>(Larentzos)</strong> J.P. Larentzos, J.K. Brennan, J.D. Moore, M. Lisal and
+<p id="larentzos1"><strong>(Larentzos1)</strong> J.P. Larentzos, J.K. Brennan, J.D. Moore, M. Lisal and
W.D. Mattson, “Parallel Implementation of Isothermal and Isoenergetic
Dissipative Particle Dynamics Using Shardlow-Like Splitting
Algorithms”, Comput. Phys. Commun., 185, 1987-1998 (2014).</p>
-<p id="id1"><strong>(Larentzos)</strong> J.P. Larentzos, J.K. Brennan, J.D. Moore, and
+<p id="larentzos2"><strong>(Larentzos2)</strong> J.P. Larentzos, J.K. Brennan, J.D. Moore, and
W.D. Mattson, “LAMMPS Implementation of Constant Energy Dissipative
Particle Dynamics (DPD-E)”, ARL-TR-6863, U.S. Army Research
Laboratory, Aberdeen Proving Ground, MD (2014).</p>
@@ -206,6 +446,15 @@ Laboratory, Aberdeen Proving Ground, MD (2014).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_smd.html" class="btn btn-neutral float-right" title="fix smd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_shake.html" class="btn btn-neutral" title="fix shake command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_smd.html b/doc/html/fix_smd.html
index 0c2d9bc51985f63be4534ed2a3b6a345c4b33999..e5fcbec0959e872ba605fc1710bbdbfe2d1e2a84 100644
--- a/doc/html/fix_smd.html
+++ b/doc/html/fix_smd.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix smd/adjust_dt command" href="fix_smd_adjust_dt.html"/>
+ <link rel="prev" title="fix shardlow command" href="fix_shardlow.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix smd command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix smd command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_smd_adjust_dt.html" class="btn btn-neutral float-right" title="fix smd/adjust_dt command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_shardlow.html" class="btn btn-neutral" title="fix shardlow command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,11 +371,12 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">smd</span> <span class="nb">type</span> <span class="n">values</span> <span class="n">keyword</span> <span class="n">values</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>smd = style name of this fix command</li>
-<li>mode = <em>cvel</em> or <em>cfor</em> to select constant velocity or constant force SMD</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">smd = style name of this fix command</p>
+</li>
+<li><p class="first">mode = <em>cvel</em> or <em>cfor</em> to select constant velocity or constant force SMD</p>
<pre class="literal-block">
<em>cvel</em> values = K vel
K = spring constant (force/distance units)
@@ -143,9 +384,8 @@
<em>cfor</em> values = force
force = pulling force (force units)
</pre>
-<ul class="simple">
-<li>keyword = <em>tether</em> or <em>couple</em></li>
-</ul>
+</li>
+<li><p class="first">keyword = <em>tether</em> or <em>couple</em></p>
<pre class="literal-block">
<em>tether</em> values = x y z R0
x,y,z = point to which spring is tethered
@@ -155,6 +395,8 @@
x,y,z = direction of spring, automatically computed with 'auto'
R0 = distance of end of spring (distance units)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -261,6 +503,15 @@ Engineering, pp. 39-65. Springer-Verlag, Berlin, 1998.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_smd_adjust_dt.html" class="btn btn-neutral float-right" title="fix smd/adjust_dt command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_shardlow.html" class="btn btn-neutral" title="fix shardlow command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_smd_adjust_dt.html b/doc/html/fix_smd_adjust_dt.html
index 734c433f36d938f9db2c25ab4d125ee3374a4616..8604e3cf63eb3403795acacf59538dc0ebdcbacd 100644
--- a/doc/html/fix_smd_adjust_dt.html
+++ b/doc/html/fix_smd_adjust_dt.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix smd/integrate_tlsph command" href="fix_smd_integrate_tlsph.html"/>
+ <link rel="prev" title="fix smd command" href="fix_smd.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix smd/adjust_dt command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix smd/adjust_dt command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_smd_integrate_tlsph.html" class="btn btn-neutral float-right" title="fix smd/integrate_tlsph command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_smd.html" class="btn btn-neutral" title="fix smd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,14 +371,17 @@
<pre class="literal-block">
fix ID group-ID smd/adjust_dt arg
</pre>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>smd/adjust_dt = style name of this fix command</li>
-<li>arg = <em>s_fact</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">smd/adjust_dt = style name of this fix command</p>
+</li>
+<li><p class="first">arg = <em>s_fact</em></p>
<pre class="literal-block">
<em>s_fact</em> = safety factor
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -178,6 +421,15 @@ section for more info.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_smd_integrate_tlsph.html" class="btn btn-neutral float-right" title="fix smd/integrate_tlsph command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_smd.html" class="btn btn-neutral" title="fix smd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_smd_integrate_tlsph.html b/doc/html/fix_smd_integrate_tlsph.html
index 04c9db062ae2c06b7144a09a7a7691cfa6eb9022..8a670b41c4ff1e251cabbb2c1518583b5406fdf5 100644
--- a/doc/html/fix_smd_integrate_tlsph.html
+++ b/doc/html/fix_smd_integrate_tlsph.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix smd/integrate_ulsph command" href="fix_smd_integrate_ulsph.html"/>
+ <link rel="prev" title="fix smd/adjust_dt command" href="fix_smd_adjust_dt.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix smd/integrate_tlsph command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix smd/integrate_tlsph command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_smd_integrate_ulsph.html" class="btn btn-neutral float-right" title="fix smd/integrate_ulsph command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_smd_adjust_dt.html" class="btn btn-neutral" title="fix smd/adjust_dt command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -176,6 +416,15 @@ section for more info.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_smd_integrate_ulsph.html" class="btn btn-neutral float-right" title="fix smd/integrate_ulsph command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_smd_adjust_dt.html" class="btn btn-neutral" title="fix smd/adjust_dt command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_smd_integrate_ulsph.html b/doc/html/fix_smd_integrate_ulsph.html
index 58bd9fda2c515250bd3ec5645107f769df38ca0a..12836045248cea65907ccff8ff8c99aa178fa13f 100644
--- a/doc/html/fix_smd_integrate_ulsph.html
+++ b/doc/html/fix_smd_integrate_ulsph.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix smd/move_tri_surf command" href="fix_smd_move_triangulated_surface.html"/>
+ <link rel="prev" title="fix smd/integrate_tlsph command" href="fix_smd_integrate_tlsph.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix smd/integrate_ulsph command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix smd/integrate_ulsph command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_smd_move_triangulated_surface.html" class="btn btn-neutral float-right" title="fix smd/move_tri_surf command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_smd_integrate_tlsph.html" class="btn btn-neutral" title="fix smd/integrate_tlsph command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -184,6 +424,15 @@ section for more info.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_smd_move_triangulated_surface.html" class="btn btn-neutral float-right" title="fix smd/move_tri_surf command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_smd_integrate_tlsph.html" class="btn btn-neutral" title="fix smd/integrate_tlsph command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_smd_move_triangulated_surface.html b/doc/html/fix_smd_move_triangulated_surface.html
index e3c04397e773f81c69ccedacf615bcbdbbed02d1..17be63d9be8921226b0ea3ea46133aa1c104c247 100644
--- a/doc/html/fix_smd_move_triangulated_surface.html
+++ b/doc/html/fix_smd_move_triangulated_surface.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix smd/setvel command" href="fix_smd_setvel.html"/>
+ <link rel="prev" title="fix smd/integrate_ulsph command" href="fix_smd_integrate_ulsph.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix smd/move_tri_surf command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix smd/move_tri_surf command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_smd_setvel.html" class="btn btn-neutral float-right" title="fix smd/setvel command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_smd_integrate_ulsph.html" class="btn btn-neutral" title="fix smd/integrate_ulsph command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,11 +371,12 @@
<pre class="literal-block">
fix ID group-ID smd/move_tri_surf keyword
</pre>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>smd/move_tri_surf keyword = style name of this fix command</li>
-<li>keyword = <em>*LINEAR</em> or <em>*WIGGLE</em> or <em>*ROTATE</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">smd/move_tri_surf keyword = style name of this fix command</p>
+</li>
+<li><p class="first">keyword = <em>*LINEAR</em> or <em>*WIGGLE</em> or <em>*ROTATE</em></p>
<pre class="literal-block">
<em>*LINEAR</em> args = Vx Vy Vz
Vx,Vy,Vz = components of velocity vector (velocity units), any component can be specified as NULL
@@ -147,6 +388,8 @@ fix ID group-ID smd/move_tri_surf keyword
Rx,Ry,Rz = axis of rotation vector
period = period of rotation (time units)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -195,6 +438,15 @@ section for more info.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_smd_setvel.html" class="btn btn-neutral float-right" title="fix smd/setvel command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_smd_integrate_ulsph.html" class="btn btn-neutral" title="fix smd/integrate_ulsph command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_smd_setvel.html b/doc/html/fix_smd_setvel.html
index 16fc5abc5013b27b19a5ae47ff98e95b2ab59607..0a18a671c21d2ab2c42bbdd32f14d5bc395465a4 100644
--- a/doc/html/fix_smd_setvel.html
+++ b/doc/html/fix_smd_setvel.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix smd/wall_surface command" href="fix_smd_wall_surface.html"/>
+ <link rel="prev" title="fix smd/move_tri_surf command" href="fix_smd_move_triangulated_surface.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,230 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix smd/setvel command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +337,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix smd/setvel command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +350,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_smd_wall_surface.html" class="btn btn-neutral float-right" title="fix smd/wall_surface command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_smd_move_triangulated_surface.html" class="btn btn-neutral" title="fix smd/move_tri_surf command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,18 +370,24 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">smd</span><span class="o">/</span><span class="n">setvel</span> <span class="n">vx</span> <span class="n">vy</span> <span class="n">vz</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>smd/setvel = style name of this fix command</li>
-<li>vx,vy,vz = velocity component values</li>
-<li>any of vx,vy,vz can be a variable (see below)</li>
-<li>zero or more keyword/value pairs may be appended to args</li>
-<li>keyword = <em>region</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">smd/setvel = style name of this fix command</p>
+</li>
+<li><p class="first">vx,vy,vz = velocity component values</p>
+</li>
+<li><p class="first">any of vx,vy,vz can be a variable (see below)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended to args</p>
+</li>
+<li><p class="first">keyword = <em>region</em></p>
<pre class="literal-block">
<em>region</em> value = region-ID
region-ID = ID of region particles must be in to have their velocities set
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -201,6 +446,15 @@ section for more info.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_smd_wall_surface.html" class="btn btn-neutral float-right" title="fix smd/wall_surface command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_smd_move_triangulated_surface.html" class="btn btn-neutral" title="fix smd/move_tri_surf command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_smd_wall_surface.html b/doc/html/fix_smd_wall_surface.html
index f51d51f6a6e620d034c14350bb738e8986837051..d2a04553c48313f2bcb8c01c0b22456cedc52620 100644
--- a/doc/html/fix_smd_wall_surface.html
+++ b/doc/html/fix_smd_wall_surface.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix spring command" href="fix_spring.html"/>
+ <link rel="prev" title="fix smd/setvel command" href="fix_smd_setvel.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix smd/wall_surface command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix smd/wall_surface command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_spring.html" class="btn btn-neutral float-right" title="fix spring command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_smd_setvel.html" class="btn btn-neutral" title="fix smd/setvel command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,17 +371,20 @@
<pre class="literal-block">
fix ID group-ID smd/wall_surface arg type mol-ID
</pre>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>smd/wall_surface = style name of this fix command</li>
-<li>arg = <em>file</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">smd/wall_surface = style name of this fix command</p>
+</li>
+<li><p class="first">arg = <em>file</em></p>
<pre class="literal-block">
<em>file</em> = file name of a triangular mesh in stl format
</pre>
-<ul class="simple">
-<li>type = particle type to be given to the new particles created by this fix</li>
-<li>mol-ID = molecule-ID to be given to the new particles created by this fix (must be >= 65535)</li>
+</li>
+<li><p class="first">type = particle type to be given to the new particles created by this fix</p>
+</li>
+<li><p class="first">mol-ID = molecule-ID to be given to the new particles created by this fix (must be >= 65535)</p>
+</li>
</ul>
</div>
<div class="section" id="examples">
@@ -182,6 +425,15 @@ section for more info. The molecule ID given to the particles created by this fi
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_spring.html" class="btn btn-neutral float-right" title="fix spring command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_smd_setvel.html" class="btn btn-neutral" title="fix smd/setvel command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_spring.html b/doc/html/fix_spring.html
index 413066a788c1f3e294877087db1afd48b4e2d423..7b4827f36c9b248d30a9028dd9e0fe44d2af29ec 100644
--- a/doc/html/fix_spring.html
+++ b/doc/html/fix_spring.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix spring/chunk command" href="fix_spring_chunk.html"/>
+ <link rel="prev" title="fix smd/wall_surface command" href="fix_smd_wall_surface.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix spring command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix spring command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_spring_chunk.html" class="btn btn-neutral float-right" title="fix spring/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_smd_wall_surface.html" class="btn btn-neutral" title="fix smd/wall_surface command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,11 +371,12 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">spring</span> <span class="n">keyword</span> <span class="n">values</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>spring = style name of this fix command</li>
-<li>keyword = <em>tether</em> or <em>couple</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">spring = style name of this fix command</p>
+</li>
+<li><p class="first">keyword = <em>tether</em> or <em>couple</em></p>
<pre class="literal-block">
<em>tether</em> values = K x y z R0
K = spring constant (force/distance units)
@@ -147,6 +388,8 @@
x,y,z = direction of spring
R0 = equilibrium distance of spring (distance units)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -267,6 +510,15 @@ fix.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_spring_chunk.html" class="btn btn-neutral float-right" title="fix spring/chunk command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_smd_wall_surface.html" class="btn btn-neutral" title="fix smd/wall_surface command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_spring_chunk.html b/doc/html/fix_spring_chunk.html
index 5ea20d8a43af9bdd332142faecf0f6ab44ff229c..84db5448df84244c5b4f2b4eea0791664f73c67a 100644
--- a/doc/html/fix_spring_chunk.html
+++ b/doc/html/fix_spring_chunk.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix spring/rg command" href="fix_spring_rg.html"/>
+ <link rel="prev" title="fix spring command" href="fix_spring.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix spring/chunk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix spring/chunk command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_spring_rg.html" class="btn btn-neutral float-right" title="fix spring/rg command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_spring.html" class="btn btn-neutral" title="fix spring command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -208,6 +448,15 @@ fix.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_spring_rg.html" class="btn btn-neutral float-right" title="fix spring/rg command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_spring.html" class="btn btn-neutral" title="fix spring command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_spring_rg.html b/doc/html/fix_spring_rg.html
index 8cb641326cb6bc6f2dee124bf4f0624fef81c41d..b29e97e656071642cab2fb5ab3972530023b0ff4 100644
--- a/doc/html/fix_spring_rg.html
+++ b/doc/html/fix_spring_rg.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix spring/self command" href="fix_spring_self.html"/>
+ <link rel="prev" title="fix spring/chunk command" href="fix_spring_chunk.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix spring/rg command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix spring/rg command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_spring_self.html" class="btn btn-neutral float-right" title="fix spring/self command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_spring_chunk.html" class="btn btn-neutral" title="fix spring/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -194,6 +434,15 @@ integrator the fix is adding its forces. Default is the outermost level.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_spring_self.html" class="btn btn-neutral float-right" title="fix spring/self command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_spring_chunk.html" class="btn btn-neutral" title="fix spring/chunk command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_spring_self.html b/doc/html/fix_spring_self.html
index 28e33fc5ed56bf0aa842db010eb2be26840e44f4..e83902727e30b55f15fb5f1b21874049a0ca22a9 100644
--- a/doc/html/fix_spring_self.html
+++ b/doc/html/fix_spring_self.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix srd command" href="fix_srd.html"/>
+ <link rel="prev" title="fix spring/rg command" href="fix_spring_rg.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix spring/self command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix spring/self command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_srd.html" class="btn btn-neutral float-right" title="fix srd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_spring_rg.html" class="btn btn-neutral" title="fix spring/rg command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -207,6 +447,15 @@ this fix.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_srd.html" class="btn btn-neutral float-right" title="fix srd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_spring_rg.html" class="btn btn-neutral" title="fix spring/rg command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_srd.html b/doc/html/fix_srd.html
index 8ee372d9d4eb3c4bc38aee2f988bf260706cda83..451d227bcd79883ce2daf0bb9cc39dcbfb358f16 100644
--- a/doc/html/fix_srd.html
+++ b/doc/html/fix_srd.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix store/force command" href="fix_store_force.html"/>
+ <link rel="prev" title="fix spring/self command" href="fix_spring_self.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix srd command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix srd command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_store_force.html" class="btn btn-neutral float-right" title="fix store/force command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_spring_self.html" class="btn btn-neutral" title="fix spring/self command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,17 +372,24 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">srd</span> <span class="n">N</span> <span class="n">groupbig</span><span class="o">-</span><span class="n">ID</span> <span class="n">Tsrd</span> <span class="n">hgrid</span> <span class="n">seed</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>srd = style name of this fix command</li>
-<li>N = reset SRD particle velocities every this many timesteps</li>
-<li>groupbig-ID = ID of group of large particles that SRDs interact with</li>
-<li>Tsrd = temperature of SRD particles (temperature units)</li>
-<li>hgrid = grid spacing for SRD grouping (distance units)</li>
-<li>seed = random # seed (positive integer)</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>lamda</em> or <em>collision</em> or <em>overlap</em> or <em>inside</em> or <em>exact</em> or <em>radius</em> or <em>bounce</em> or <em>search</em> or <em>cubic</em> or <em>shift</em> or <em>tstat</em> or <em>rescale</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">srd = style name of this fix command</p>
+</li>
+<li><p class="first">N = reset SRD particle velocities every this many timesteps</p>
+</li>
+<li><p class="first">groupbig-ID = ID of group of large particles that SRDs interact with</p>
+</li>
+<li><p class="first">Tsrd = temperature of SRD particles (temperature units)</p>
+</li>
+<li><p class="first">hgrid = grid spacing for SRD grouping (distance units)</p>
+</li>
+<li><p class="first">seed = random # seed (positive integer)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>lamda</em> or <em>collision</em> or <em>overlap</em> or <em>inside</em> or <em>exact</em> or <em>radius</em> or <em>bounce</em> or <em>search</em> or <em>cubic</em> or <em>shift</em> or <em>tstat</em> or <em>rescale</em></p>
<pre class="literal-block">
<em>lamda</em> value = mean free path of SRD particles (distance units)
<em>collision</em> value = <em>noslip</em> or <em>slip</em> = collision model
@@ -167,6 +415,8 @@
<em>rotate</em> = rescale during velocity rotation, but not collisions
<em>collide</em> = rescale during collisions, but not velocity rotation
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -514,6 +764,15 @@ Chem Phys, 132, 174106 (2010).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_store_force.html" class="btn btn-neutral float-right" title="fix store/force command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_spring_self.html" class="btn btn-neutral" title="fix spring/self command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_store_force.html b/doc/html/fix_store_force.html
index 43d5848e79c259025b81b34e20614be87c0d6eaa..04e1e63eb35d9a05190e0cfce927ce5adc7792d9 100644
--- a/doc/html/fix_store_force.html
+++ b/doc/html/fix_store_force.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix store/state command" href="fix_store_state.html"/>
+ <link rel="prev" title="fix srd command" href="fix_srd.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix store/force command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix store/force command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_store_state.html" class="btn btn-neutral float-right" title="fix store/state command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_srd.html" class="btn btn-neutral" title="fix srd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -195,6 +435,15 @@ the <a class="reference internal" href="run.html"><span class="doc">run</span></
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_store_state.html" class="btn btn-neutral float-right" title="fix store/state command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_srd.html" class="btn btn-neutral" title="fix srd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_store_state.html b/doc/html/fix_store_state.html
index 0a885ed683663d5399bf6caf5c871de60a3b1977..4a66a07f540c299753efe464545066d3c4d250b9 100644
--- a/doc/html/fix_store_state.html
+++ b/doc/html/fix_store_state.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix temp/berendsen command" href="fix_temp_berendsen.html"/>
+ <link rel="prev" title="fix store/force command" href="fix_store_force.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix store/state command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix store/state command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_temp_berendsen.html" class="btn btn-neutral float-right" title="fix temp/berendsen command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_store_force.html" class="btn btn-neutral" title="fix store/force command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,16 +372,18 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">store</span><span class="o">/</span><span class="n">state</span> <span class="n">N</span> <span class="n">input1</span> <span class="n">input2</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>store/state = style name of this fix command</li>
-<li>N = store atom attributes every N steps, N = 0 for initial store only</li>
-<li>input = one or more atom attributes</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">store/state = style name of this fix command</p>
+</li>
+<li><p class="first">N = store atom attributes every N steps, N = 0 for initial store only</p>
+</li>
+<li><p class="first">input = one or more atom attributes</p>
<pre class="literal-block">
possible attributes = id, mol, type, mass,
- x, y, z, xs, ys, zs, xu, yu, zu, xsu, ysu, zsu, ix, iy, iz,
- vx, vy, vz, fx, fy, fz,
+ x, y, z, xs, ys, zs, xu, yu, zu, xsu, ysu, zsu, ix, iy, iz,
+ vx, vy, vz, fx, fy, fz,
q, mux, muy, muz, mu,
radius, diameter, omegax, omegay, omegaz,
angmomx, angmomy, angmomz, tqx, tqy, tqz,
@@ -174,13 +417,15 @@ v_name = per-atom vector calculated by an atom-style variable with name
d_name = per-atom floating point vector name, managed by fix property/atom
i_name = per-atom integer vector name, managed by fix property/atom
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>com</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>com</em></p>
<pre class="literal-block">
<em>com</em> value = <em>yes</em> or <em>no</em>
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -254,6 +499,15 @@ the <a class="reference internal" href="run.html"><span class="doc">run</span></
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_temp_berendsen.html" class="btn btn-neutral float-right" title="fix temp/berendsen command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_store_force.html" class="btn btn-neutral" title="fix store/force command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_temp_berendsen.html b/doc/html/fix_temp_berendsen.html
index 56ae7e333919ddff2e1264dc53623a2a73478869..2edc0200b4088e2d9a6e459f66be6975866ece3f 100644
--- a/doc/html/fix_temp_berendsen.html
+++ b/doc/html/fix_temp_berendsen.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix temp/csvr command" href="fix_temp_csvr.html"/>
+ <link rel="prev" title="fix store/state command" href="fix_store_state.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix temp/berendsen command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix temp/berendsen command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_temp_csvr.html" class="btn btn-neutral float-right" title="fix temp/csvr command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_store_state.html" class="btn btn-neutral" title="fix store/state command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,16 +371,18 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">temp</span><span class="o">/</span><span class="n">berendsen</span> <span class="n">Tstart</span> <span class="n">Tstop</span> <span class="n">Tdamp</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>temp/berendsen = style name of this fix command</li>
-<li>Tstart,Tstop = desired temperature at start/end of run</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">temp/berendsen = style name of this fix command</p>
+</li>
+<li><p class="first">Tstart,Tstop = desired temperature at start/end of run</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">Tstart</span> <span class="n">can</span> <span class="n">be</span> <span class="n">a</span> <span class="n">variable</span> <span class="p">(</span><span class="n">see</span> <span class="n">below</span><span class="p">)</span>
</pre></div>
</div>
-<ul class="simple">
-<li>Tdamp = temperature damping parameter (time units)</li>
+</li>
+<li><p class="first">Tdamp = temperature damping parameter (time units)</p>
+</li>
</ul>
</div>
<div class="section" id="examples">
@@ -266,6 +508,15 @@ Phys, 81, 3684 (1984).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_temp_csvr.html" class="btn btn-neutral float-right" title="fix temp/csvr command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_store_state.html" class="btn btn-neutral" title="fix store/state command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_temp_csvr.html b/doc/html/fix_temp_csvr.html
index 1a1b23cc0db10e6dae08a8c3c054735ae1e3a978..4a12c1ecb25cdf9919cb466f9d031ac9a49eebb2 100644
--- a/doc/html/fix_temp_csvr.html
+++ b/doc/html/fix_temp_csvr.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix temp/rescale command" href="fix_temp_rescale.html"/>
+ <link rel="prev" title="fix temp/berendsen command" href="fix_temp_berendsen.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-temp-csld-command">fix temp/csld command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix temp/csvr command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_temp_rescale.html" class="btn btn-neutral float-right" title="fix temp/rescale command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_temp_berendsen.html" class="btn btn-neutral" title="fix temp/berendsen command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -137,17 +377,20 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">temp</span><span class="o">/</span><span class="n">csld</span> <span class="n">Tstart</span> <span class="n">Tstop</span> <span class="n">Tdamp</span> <span class="n">seed</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>temp/csvr or temp/csld = style name of this fix command</li>
-<li>Tstart,Tstop = desired temperature at start/end of run</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">temp/csvr or temp/csld = style name of this fix command</p>
+</li>
+<li><p class="first">Tstart,Tstop = desired temperature at start/end of run</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">Tstart</span> <span class="n">can</span> <span class="n">be</span> <span class="n">a</span> <span class="n">variable</span> <span class="p">(</span><span class="n">see</span> <span class="n">below</span><span class="p">)</span>
</pre></div>
</div>
-<ul class="simple">
-<li>Tdamp = temperature damping parameter (time units)</li>
-<li>seed = random number seed to use for white noise (positive integer)</li>
+</li>
+<li><p class="first">Tdamp = temperature damping parameter (time units)</p>
+</li>
+<li><p class="first">seed = random number seed to use for white noise (positive integer)</p>
+</li>
</ul>
</div>
<div class="section" id="examples">
@@ -282,6 +525,15 @@ over time or the atom count becomes very small.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_temp_rescale.html" class="btn btn-neutral float-right" title="fix temp/rescale command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_temp_berendsen.html" class="btn btn-neutral" title="fix temp/berendsen command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_temp_rescale.html b/doc/html/fix_temp_rescale.html
index 2b96f60e2e5c22f7586764d00aa009b50e115ad2..add43295b1b723feb116f3c18ff9d26d38dcb32d 100644
--- a/doc/html/fix_temp_rescale.html
+++ b/doc/html/fix_temp_rescale.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix temp/rescale/eff command" href="fix_temp_rescale_eff.html"/>
+ <link rel="prev" title="fix temp/csvr command" href="fix_temp_csvr.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix temp/rescale command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix temp/rescale command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_temp_rescale_eff.html" class="btn btn-neutral float-right" title="fix temp/rescale/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_temp_csvr.html" class="btn btn-neutral" title="fix temp/csvr command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,18 +371,22 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">temp</span><span class="o">/</span><span class="n">rescale</span> <span class="n">N</span> <span class="n">Tstart</span> <span class="n">Tstop</span> <span class="n">window</span> <span class="n">fraction</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>temp/rescale = style name of this fix command</li>
-<li>N = perform rescaling every N steps</li>
-<li>Tstart,Tstop = desired temperature at start/end of run (temperature units)</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">temp/rescale = style name of this fix command</p>
+</li>
+<li><p class="first">N = perform rescaling every N steps</p>
+</li>
+<li><p class="first">Tstart,Tstop = desired temperature at start/end of run (temperature units)</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">Tstart</span> <span class="n">can</span> <span class="n">be</span> <span class="n">a</span> <span class="n">variable</span> <span class="p">(</span><span class="n">see</span> <span class="n">below</span><span class="p">)</span>
</pre></div>
</div>
-<ul class="simple">
-<li>window = only rescale if temperature is outside this window (temperature units)</li>
-<li>fraction = rescale to target temperature by this fraction</li>
+</li>
+<li><p class="first">window = only rescale if temperature is outside this window (temperature units)</p>
+</li>
+<li><p class="first">fraction = rescale to target temperature by this fraction</p>
+</li>
</ul>
</div>
<div class="section" id="examples">
@@ -263,6 +507,15 @@ calculated by this fix is “extensive”.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_temp_rescale_eff.html" class="btn btn-neutral float-right" title="fix temp/rescale/eff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_temp_csvr.html" class="btn btn-neutral" title="fix temp/csvr command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_temp_rescale_eff.html b/doc/html/fix_temp_rescale_eff.html
index 4a5b09b42ab5b2938986c434e665ac5e35cf67ba..9b15bdb74d1dd16514a8dbcce6e332cd296eab1b 100644
--- a/doc/html/fix_temp_rescale_eff.html
+++ b/doc/html/fix_temp_rescale_eff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix tfmc command" href="fix_tfmc.html"/>
+ <link rel="prev" title="fix temp/rescale command" href="fix_temp_rescale.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix temp/rescale/eff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix temp/rescale/eff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_tfmc.html" class="btn btn-neutral float-right" title="fix tfmc command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_temp_rescale.html" class="btn btn-neutral" title="fix temp/rescale command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -191,6 +431,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_tfmc.html" class="btn btn-neutral float-right" title="fix tfmc command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_temp_rescale.html" class="btn btn-neutral" title="fix temp/rescale command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_tfmc.html b/doc/html/fix_tfmc.html
index 32b9de3cbb81980a609bd1f7657b77a31b56e124..f421647d8ca24d5efd9b8db71d88d5dd4f964d7f 100644
--- a/doc/html/fix_tfmc.html
+++ b/doc/html/fix_tfmc.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix thermal/conductivity command" href="fix_thermal_conductivity.html"/>
+ <link rel="prev" title="fix temp/rescale/eff command" href="fix_temp_rescale_eff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix tfmc command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix tfmc command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_thermal_conductivity.html" class="btn btn-neutral float-right" title="fix thermal/conductivity command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_temp_rescale_eff.html" class="btn btn-neutral" title="fix temp/rescale/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,20 +372,27 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">tfmc</span> <span class="n">Delta</span> <span class="n">Temp</span> <span class="n">seed</span> <span class="n">keyword</span> <span class="n">value</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>tfmc = style name of this fix command</li>
-<li>Delta = maximal displacement length (distance units)</li>
-<li>Temp = imposed temperature of the system</li>
-<li>seed = random number seed (positive integer)</li>
-<li>zero or more keyword/arg pairs may be appended</li>
-<li>keyword = <em>com</em> or <em>rot</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">tfmc = style name of this fix command</p>
+</li>
+<li><p class="first">Delta = maximal displacement length (distance units)</p>
+</li>
+<li><p class="first">Temp = imposed temperature of the system</p>
+</li>
+<li><p class="first">seed = random number seed (positive integer)</p>
+</li>
+<li><p class="first">zero or more keyword/arg pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>com</em> or <em>rot</em></p>
<pre class="literal-block">
<em>com</em> args = xflag yflag zflag
xflag,yflag,zflag = 0/1 to exclude/include each dimension
<em>rot</em> args = none
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -262,6 +510,15 @@ A. Stesmans, Phys. Rev. B 85, 134301 (2012).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_thermal_conductivity.html" class="btn btn-neutral float-right" title="fix thermal/conductivity command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_temp_rescale_eff.html" class="btn btn-neutral" title="fix temp/rescale/eff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_thermal_conductivity.html b/doc/html/fix_thermal_conductivity.html
index 05f63ab2de10d59604fcd1bc3f5ade3e5e580fb0..2b839b3d5e2fb581cebcba2aeff174af0c77fe55 100644
--- a/doc/html/fix_thermal_conductivity.html
+++ b/doc/html/fix_thermal_conductivity.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix ti/rs command" href="fix_ti_rs.html"/>
+ <link rel="prev" title="fix tfmc command" href="fix_tfmc.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix thermal/conductivity command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix thermal/conductivity command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ti_rs.html" class="btn btn-neutral float-right" title="fix ti/rs command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_tfmc.html" class="btn btn-neutral" title="fix tfmc command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,18 +372,25 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">thermal</span><span class="o">/</span><span class="n">conductivity</span> <span class="n">N</span> <span class="n">edim</span> <span class="n">Nbin</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>thermal/conductivity = style name of this fix command</li>
-<li>N = perform kinetic energy exchange every N steps</li>
-<li>edim = <em>x</em> or <em>y</em> or <em>z</em> = direction of kinetic energy transfer</li>
-<li>Nbin = # of layers in edim direction (must be even number)</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>swap</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">thermal/conductivity = style name of this fix command</p>
+</li>
+<li><p class="first">N = perform kinetic energy exchange every N steps</p>
+</li>
+<li><p class="first">edim = <em>x</em> or <em>y</em> or <em>z</em> = direction of kinetic energy transfer</p>
+</li>
+<li><p class="first">Nbin = # of layers in edim direction (must be even number)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>swap</em></p>
<pre class="literal-block">
<em>swap</em> value = Nswap = number of swaps to perform every N steps
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -274,6 +522,15 @@ bewteen solvent particles.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ti_rs.html" class="btn btn-neutral float-right" title="fix ti/rs command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_tfmc.html" class="btn btn-neutral" title="fix tfmc command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_ti_rs.html b/doc/html/fix_ti_rs.html
index f298fc952d30353f4370380e92ae1924bb3ae68b..f62fb19251d1c4e4283ef4021264f5b99aedd80c 100644
--- a/doc/html/fix_ti_rs.html
+++ b/doc/html/fix_ti_rs.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix ti/spring command" href="fix_ti_spring.html"/>
+ <link rel="prev" title="fix thermal/conductivity command" href="fix_thermal_conductivity.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix ti/rs command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix ti/rs command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ti_spring.html" class="btn btn-neutral float-right" title="fix ti/spring command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_thermal_conductivity.html" class="btn btn-neutral" title="fix thermal/conductivity command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,17 +371,22 @@
<pre class="literal-block">
fix ID group-ID ti/rs lambda_initial lambda_final t_switch t_equil keyword value ...
</pre>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>ti/rs = style name of this fix command</li>
-<li>lambda_initial/lambda_final = initial/final values of the coupling parameter</li>
-<li>t_switch/t_equil = number of steps of the switching/equilibration procedure</li>
-<li>keyword = <em>function</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">ti/rs = style name of this fix command</p>
+</li>
+<li><p class="first">lambda_initial/lambda_final = initial/final values of the coupling parameter</p>
+</li>
+<li><p class="first">t_switch/t_equil = number of steps of the switching/equilibration procedure</p>
+</li>
+<li><p class="first">keyword = <em>function</em></p>
<pre class="literal-block">
<em>function</em> value = function-ID
function-ID = ID of the switching function (1, 2 or 3)
</pre>
+</li>
+</ul>
<p><strong>Example:</strong></p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ref</span> <span class="nb">all</span> <span class="n">ti</span><span class="o">/</span><span class="n">rs</span> <span class="mf">50.0</span> <span class="mi">2000</span> <span class="mi">1000</span>
<span class="n">fix</span> <span class="n">vf</span> <span class="n">vacancy</span> <span class="n">ti</span><span class="o">/</span><span class="n">rs</span> <span class="mf">10.0</span> <span class="mi">70000</span> <span class="mi">50000</span> <span class="n">function</span> <span class="mi">2</span>
@@ -236,6 +481,15 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ti_spring.html" class="btn btn-neutral float-right" title="fix ti/spring command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_thermal_conductivity.html" class="btn btn-neutral" title="fix thermal/conductivity command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_ti_spring.html b/doc/html/fix_ti_spring.html
index e7d63d947a227dd2eadaedac205f75cecf653e6f..30eb81ce865e8422dea360bf18f184c1bbf45f61 100644
--- a/doc/html/fix_ti_spring.html
+++ b/doc/html/fix_ti_spring.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix tmd command" href="fix_tmd.html"/>
+ <link rel="prev" title="fix ti/rs command" href="fix_ti_rs.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix ti/spring command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix ti/spring command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_tmd.html" class="btn btn-neutral float-right" title="fix tmd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ti_rs.html" class="btn btn-neutral" title="fix ti/rs command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,18 +371,24 @@
<pre class="literal-block">
fix ID group-ID ti/spring K t_switch t_equil keyword value ...
</pre>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>ti/spring = style name of this fix command</li>
-<li>K = spring constant (force/distance units)</li>
-<li>t_switch/t_equil = number of steps of the switching/equilibration procedure</li>
-<li>zero or more keyword/value pairs may be appended to args</li>
-<li>keyword = <em>function</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">ti/spring = style name of this fix command</p>
+</li>
+<li><p class="first">K = spring constant (force/distance units)</p>
+</li>
+<li><p class="first">t_switch/t_equil = number of steps of the switching/equilibration procedure</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended to args</p>
+</li>
+<li><p class="first">keyword = <em>function</em></p>
<pre class="literal-block">
<em>function</em> value = function-ID
function-ID = ID of the switching function (1 or 2)
</pre>
+</li>
+</ul>
<p><strong>Example:</strong></p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ref</span> <span class="nb">all</span> <span class="n">ti</span><span class="o">/</span><span class="n">spring</span> <span class="mf">50.0</span> <span class="mi">2000</span> <span class="mi">1000</span> <span class="n">function</span> <span class="mi">2</span>
</pre></div>
@@ -198,7 +444,7 @@ thermodynamic integration.</p>
thermodynamic integration, a non-zero total velocity will result in
divergencies during the integration due to the fact that the atoms are
‘attatched’ to its equilibrium positions by the Einstein
-crystal. Check the option <em>zero</em> of <a class="reference external" href="fix_langevin_html">fix langevin</a>
+crystal. Check the option <em>zero</em> of <a class="reference internal" href="fix_langevin.html"><span class="doc">fix langevin</span></a>
and <a class="reference internal" href="velocity.html"><span class="doc">velocity</span></a>. The use of the Nose-Hoover thermostat
(<a class="reference internal" href="fix_nh.html"><span class="doc">fix nvt</span></a>) is NOT recommended due to its well documented
issues with the canonical sampling of harmonic degrees of freedom
@@ -260,6 +506,15 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_tmd.html" class="btn btn-neutral float-right" title="fix tmd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ti_rs.html" class="btn btn-neutral" title="fix ti/rs command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_tmd.html b/doc/html/fix_tmd.html
index a6a826dd6270bc6a4df554e40aac57e7d83dfce7..0abaf5d4f6169eab4db19453609876ce4c45b99d 100644
--- a/doc/html/fix_tmd.html
+++ b/doc/html/fix_tmd.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix ttm command" href="fix_ttm.html"/>
+ <link rel="prev" title="fix ti/spring command" href="fix_ti_spring.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,230 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix tmd command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +337,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix tmd command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +350,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ttm.html" class="btn btn-neutral float-right" title="fix ttm command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ti_spring.html" class="btn btn-neutral" title="fix ti/spring command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -236,6 +475,15 @@ Physics, 101, 3439-3443 (2003).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_ttm.html" class="btn btn-neutral float-right" title="fix ttm command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ti_spring.html" class="btn btn-neutral" title="fix ti/spring command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_ttm.html b/doc/html/fix_ttm.html
index 1b123238954684b28b77c81099315e5117fd38f3..046489d4470cfe918096462c4ba881d97df1fff5 100644
--- a/doc/html/fix_ttm.html
+++ b/doc/html/fix_ttm.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix tune/kspace command" href="fix_tune_kspace.html"/>
+ <link rel="prev" title="fix tmd command" href="fix_tmd.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-ttm-mod-command">fix ttm/mod command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix ttm command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_tune_kspace.html" class="btn btn-neutral float-right" title="fix tune/kspace command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_tmd.html" class="btn btn-neutral" title="fix tmd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -135,12 +375,14 @@
fix ID group-ID ttm seed C_e rho_e kappa_e gamma_p gamma_s v_0 Nx Ny Nz T_infile N T_outfile
fix ID group-ID ttm/mod seed init_file Nx Ny Nz T_infile N T_outfile
</pre>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>style = <em>ttm</em> or <em>ttm_mod</em></li>
-<li>seed = random number seed to use for white noise (positive integer)</li>
-<li>remaining arguments for fix ttm:</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">style = <em>ttm</em> or <em>ttm_mod</em></p>
+</li>
+<li><p class="first">seed = random number seed to use for white noise (positive integer)</p>
+</li>
+<li><p class="first">remaining arguments for fix ttm:</p>
<pre class="literal-block">
C_e = electronic specific heat (energy/(electron*temperature) units)
rho_e = electronic density (electrons/volume units)
@@ -155,9 +397,8 @@ T_infile = filename to read initial electronic temperature from
N = dump TTM temperatures every this many timesteps, 0 = no dump
T_outfile = filename to write TTM temperatures to (only needed if N > 0)
</pre>
-<ul class="simple">
-<li>remaining arguments for fix ttm/mod:</li>
-</ul>
+</li>
+<li><p class="first">remaining arguments for fix ttm/mod:</p>
<pre class="literal-block">
init_file = file with the parameters to TTM
Nx = number of thermal solve grid points in the x-direction (positive integer)
@@ -167,6 +408,8 @@ T_infile = filename to read initial electronic temperature from
N = dump TTM temperatures every this many timesteps, 0 = no dump
T_outfile = filename to write TTM temperatures to (only needed if N > 0)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -419,6 +662,15 @@ Plasma Phys., 53, 129-139 (2013).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_tune_kspace.html" class="btn btn-neutral float-right" title="fix tune/kspace command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_tmd.html" class="btn btn-neutral" title="fix tmd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_tune_kspace.html b/doc/html/fix_tune_kspace.html
index 8c4e08868e92b81ede01ad4985824640fc2ac0c7..e1ba23d1ff7bd3d0da3f46d98ce3ce50e42ef1d1 100644
--- a/doc/html/fix_tune_kspace.html
+++ b/doc/html/fix_tune_kspace.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix vector command" href="fix_vector.html"/>
+ <link rel="prev" title="fix ttm command" href="fix_ttm.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix tune/kspace command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix tune/kspace command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_vector.html" class="btn btn-neutral float-right" title="fix vector command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ttm.html" class="btn btn-neutral" title="fix ttm command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -206,7 +447,6 @@ called. Reneighboring is required.</p>
</div>
<div class="section" id="default">
<h2>Default</h2>
-<hr class="docutils" />
</div>
</div>
@@ -215,6 +455,15 @@ called. Reneighboring is required.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_vector.html" class="btn btn-neutral float-right" title="fix vector command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_ttm.html" class="btn btn-neutral" title="fix ttm command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_vector.html b/doc/html/fix_vector.html
index 17b80b02021f5613408bb9a87eb1156cf72ef775..25be26905752cb2669578ba22ae6577d736a2a30 100644
--- a/doc/html/fix_vector.html
+++ b/doc/html/fix_vector.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix viscosity command" href="fix_viscosity.html"/>
+ <link rel="prev" title="fix tune/kspace command" href="fix_tune_kspace.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix vector command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix vector command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_viscosity.html" class="btn btn-neutral float-right" title="fix viscosity command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_tune_kspace.html" class="btn btn-neutral" title="fix tune/kspace command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,13 +371,16 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">vector</span> <span class="n">Nevery</span> <span class="n">value1</span> <span class="n">value2</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>vector = style name of this fix command</li>
-<li>Nevery = use input values every this many timesteps</li>
-<li>one or more input values can be listed</li>
-<li>value = c_ID, c_ID[N], f_ID, f_ID[N], v_name</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">vector = style name of this fix command</p>
+</li>
+<li><p class="first">Nevery = use input values every this many timesteps</p>
+</li>
+<li><p class="first">one or more input values can be listed</p>
+</li>
+<li><p class="first">value = c_ID, c_ID[N], f_ID, f_ID[N], v_name</p>
<pre class="literal-block">
c_ID = global scalar calculated by a compute with ID
c_ID[I] = Ith component of global vector calculated by a compute with ID
@@ -146,6 +389,8 @@ f_ID[I] = Ith component of global vector calculated by a fix with ID
v_name = value calculated by an equal-style variable with name
v_name[I] = Ith component of vector-style variable with name
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -272,6 +517,15 @@ stored values.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_viscosity.html" class="btn btn-neutral float-right" title="fix viscosity command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_tune_kspace.html" class="btn btn-neutral" title="fix tune/kspace command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_viscosity.html b/doc/html/fix_viscosity.html
index 16fa977a8f39f27c8d1b5ad17c3eb5c911a5d6b3..6edeaf2cc128ee3d08b4852b96e91f012981717b 100644
--- a/doc/html/fix_viscosity.html
+++ b/doc/html/fix_viscosity.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix viscous command" href="fix_viscous.html"/>
+ <link rel="prev" title="fix vector command" href="fix_vector.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix viscosity command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix viscosity command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_viscous.html" class="btn btn-neutral float-right" title="fix viscous command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+ <a href="fix_vector.html" class="btn btn-neutral" title="fix vector command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
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<div itemprop="articleBody">
@@ -131,20 +372,28 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">viscosity</span> <span class="n">N</span> <span class="n">vdim</span> <span class="n">pdim</span> <span class="n">Nbin</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>viscosity = style name of this fix command</li>
-<li>N = perform momentum exchange every N steps</li>
-<li>vdim = <em>x</em> or <em>y</em> or <em>z</em> = which momentum component to exchange</li>
-<li>pdim = <em>x</em> or <em>y</em> or <em>z</em> = direction of momentum transfer</li>
-<li>Nbin = # of layers in pdim direction (must be even number)</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>swap</em> or <em>target</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">viscosity = style name of this fix command</p>
+</li>
+<li><p class="first">N = perform momentum exchange every N steps</p>
+</li>
+<li><p class="first">vdim = <em>x</em> or <em>y</em> or <em>z</em> = which momentum component to exchange</p>
+</li>
+<li><p class="first">pdim = <em>x</em> or <em>y</em> or <em>z</em> = direction of momentum transfer</p>
+</li>
+<li><p class="first">Nbin = # of layers in pdim direction (must be even number)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>swap</em> or <em>target</em></p>
<pre class="literal-block">
<em>swap</em> value = Nswap = number of swaps to perform every N steps
<em>vtarget</em> value = V or INF = target velocity of swap partners (velocity units)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -221,7 +470,7 @@ accurately infer a viscosity and should try increasing the Nevery
parameter.</p>
</div>
<p>An alternative method for calculating a viscosity is to run a NEMD
-simulation, as described in <a class="reference internal" href="Section_howto.html#howto-13"><span class="std std-ref">Section_howto 13</span></a> of the manual. NEMD simulations
+simulation, as described in <a class="reference internal" href="Section_howto.html#howto-13"><span class="std std-ref">Section 6.13</span></a> of the manual. NEMD simulations
deform the simmulation box via the <a class="reference internal" href="fix_deform.html"><span class="doc">fix deform</span></a>
command. Thus they cannot be run on a charged system using a <a class="reference internal" href="kspace_style.html"><span class="doc">PPPM solver</span></a> since PPPM does not currently support
non-orthogonal boxes. Using fix viscosity keeps the box orthogonal;
@@ -277,6 +526,15 @@ solvent particles.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_viscous.html" class="btn btn-neutral float-right" title="fix viscous command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_vector.html" class="btn btn-neutral" title="fix vector command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_viscous.html b/doc/html/fix_viscous.html
index e63286eaeb2b9958aea0c98a8a076f4f3ef4b3b7..05bdd1e5e204b81291229b98309c5a72771e7a33 100644
--- a/doc/html/fix_viscous.html
+++ b/doc/html/fix_viscous.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix wall/lj93 command" href="fix_wall.html"/>
+ <link rel="prev" title="fix viscosity command" href="fix_viscosity.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix viscous command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix viscous command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_wall.html" class="btn btn-neutral float-right" title="fix wall/lj93 command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_viscosity.html" class="btn btn-neutral" title="fix viscosity command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,18 +371,22 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">viscous</span> <span class="n">gamma</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>viscous = style name of this fix command</li>
-<li>gamma = damping coefficient (force/velocity units)</li>
-<li>zero or more keyword/value pairs may be appended</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">viscous = style name of this fix command</p>
+</li>
+<li><p class="first">gamma = damping coefficient (force/velocity units)</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
<pre class="literal-block">
keyword = <em>scale</em>
<em>scale</em> values = type ratio
type = atom type (1-N)
ratio = factor to scale the damping coefficient by
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -226,6 +470,15 @@ for details.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_wall.html" class="btn btn-neutral float-right" title="fix wall/lj93 command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_viscosity.html" class="btn btn-neutral" title="fix viscosity command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_wall.html b/doc/html/fix_wall.html
index 0a1d123b92268802eeae10294294ae5995bf2e9b..299e7fe92abc10390e4dfdddeec150e56f1532a6 100644
--- a/doc/html/fix_wall.html
+++ b/doc/html/fix_wall.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix wall/gran command" href="fix_wall_gran.html"/>
+ <link rel="prev" title="fix viscous command" href="fix_viscous.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-wall-harmonic-command">fix wall/harmonic command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix wall/lj93 command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_wall_gran.html" class="btn btn-neutral float-right" title="fix wall/gran command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_viscous.html" class="btn btn-neutral" title="fix viscous command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -143,12 +384,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">style</span> <span class="n">face</span> <span class="n">args</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>style = <em>wall/lj93</em> or <em>wall/lj126</em> or <em>wall/lj1043</em> or <em>wall/colloid</em> or <em>wall/harmonic</em></li>
-<li>one or more face/arg pairs may be appended</li>
-<li>face = <em>xlo</em> or <em>xhi</em> or <em>ylo</em> or <em>yhi</em> or <em>zlo</em> or <em>zhi</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">style = <em>wall/lj93</em> or <em>wall/lj126</em> or <em>wall/lj1043</em> or <em>wall/colloid</em> or <em>wall/harmonic</em></p>
+</li>
+<li><p class="first">one or more face/arg pairs may be appended</p>
+</li>
+<li><p class="first">face = <em>xlo</em> or <em>xhi</em> or <em>ylo</em> or <em>yhi</em> or <em>zlo</em> or <em>zhi</em></p>
<pre class="literal-block">
args = coord epsilon sigma cutoff
coord = position of wall = EDGE or constant or variable
@@ -161,10 +404,10 @@ args = coord epsilon sigma cutoff
sigma can be a variable (see below)
cutoff = distance from wall at which wall-particle interaction is cut off (distance units)
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>units</em> or <em>fld</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>units</em> or <em>fld</em></p>
<pre class="literal-block">
<em>units</em> value = <em>lattice</em> or <em>box</em>
<em>lattice</em> = the wall position is defined in lattice units
@@ -176,6 +419,8 @@ args = coord epsilon sigma cutoff
<em>yes</em> = allow periodic boundary in a wall dimension
<em>no</em> = require non-perioidic boundaries in any wall dimension
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -409,6 +654,15 @@ erratum in JCP 84, 2901 (1986).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_wall_gran.html" class="btn btn-neutral float-right" title="fix wall/gran command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_viscous.html" class="btn btn-neutral" title="fix viscous command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_wall_gran.html b/doc/html/fix_wall_gran.html
index b6360f4ffb355d4c72df3755efa59fcb74178607..75af41d33bb5349a529341823bafd9fcf6bdfeef 100644
--- a/doc/html/fix_wall_gran.html
+++ b/doc/html/fix_wall_gran.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix wall/piston command" href="fix_wall_piston.html"/>
+ <link rel="prev" title="fix wall/lj93 command" href="fix_wall.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix wall/gran command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix wall/gran command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_wall_piston.html" class="btn btn-neutral float-right" title="fix wall/piston command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_wall.html" class="btn btn-neutral" title="fix wall/lj93 command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,34 +371,41 @@
<pre class="literal-block">
fix ID group-ID wall/gran Kn Kt fstyle gamma_n gamma_t xmu dampflag wallstyle args keyword values ...
</pre>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>wall/gran = style name of this fix command</li>
-<li>fstyle = style of force interactions between particles and wall</li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">wall/gran = style name of this fix command</p>
+</li>
+<li><p class="first">fstyle = style of force interactions between particles and wall</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">possible</span> <span class="n">choices</span><span class="p">:</span> <span class="n">hooke</span><span class="p">,</span> <span class="n">hooke</span><span class="o">/</span><span class="n">history</span><span class="p">,</span> <span class="n">hertz</span><span class="o">/</span><span class="n">history</span>
</pre></div>
</div>
-<ul class="simple">
-<li>Kn = elastic constant for normal particle repulsion (force/distance units or pressure units - see discussion below)</li>
-<li>Kt = elastic constant for tangential contact (force/distance units or pressure units - see discussion below)</li>
-<li>gamma_n = damping coefficient for collisions in normal direction (1/time units or 1/time-distance units - see discussion below)</li>
-<li>gamma_t = damping coefficient for collisions in tangential direction (1/time units or 1/time-distance units - see discussion below)</li>
-<li>xmu = static yield criterion (unitless value between 0.0 and 1.0e4)</li>
-<li>dampflag = 0 or 1 if tangential damping force is excluded or included</li>
-<li>wallstyle = <em>xplane</em> or <em>yplane</em> or <em>zplane</em> or <em>zcylinder</em></li>
-<li>args = list of arguments for a particular style</li>
-</ul>
+</li>
+<li><p class="first">Kn = elastic constant for normal particle repulsion (force/distance units or pressure units - see discussion below)</p>
+</li>
+<li><p class="first">Kt = elastic constant for tangential contact (force/distance units or pressure units - see discussion below)</p>
+</li>
+<li><p class="first">gamma_n = damping coefficient for collisions in normal direction (1/time units or 1/time-distance units - see discussion below)</p>
+</li>
+<li><p class="first">gamma_t = damping coefficient for collisions in tangential direction (1/time units or 1/time-distance units - see discussion below)</p>
+</li>
+<li><p class="first">xmu = static yield criterion (unitless value between 0.0 and 1.0e4)</p>
+</li>
+<li><p class="first">dampflag = 0 or 1 if tangential damping force is excluded or included</p>
+</li>
+<li><p class="first">wallstyle = <em>xplane</em> or <em>yplane</em> or <em>zplane</em> or <em>zcylinder</em></p>
+</li>
+<li><p class="first">args = list of arguments for a particular style</p>
<pre class="literal-block">
<em>xplane</em> or <em>yplane</em> or <em>zplane</em> args = lo hi
lo,hi = position of lower and upper plane (distance units), either can be NULL)
<em>zcylinder</em> args = radius
radius = cylinder radius (distance units)
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended to args</li>
-<li>keyword = <em>wiggle</em> or <em>shear</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended to args</p>
+</li>
+<li><p class="first">keyword = <em>wiggle</em> or <em>shear</em></p>
<pre class="literal-block">
<em>wiggle</em> values = dim amplitude period
dim = <em>x</em> or <em>y</em> or <em>z</em>
@@ -168,6 +415,8 @@ fix ID group-ID wall/gran Kn Kt fstyle gamma_n gamma_t xmu dampflag wallstyle ar
dim = <em>x</em> or <em>y</em> or <em>z</em>
vshear = magnitude of shear velocity (velocity units)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -289,6 +538,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_wall_piston.html" class="btn btn-neutral float-right" title="fix wall/piston command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_wall.html" class="btn btn-neutral" title="fix wall/lj93 command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_wall_piston.html b/doc/html/fix_wall_piston.html
index baed71d961febabe23dbc705884a53ff99189e8b..0f441736ea195404b30048c9dcc40d05493be3da 100644
--- a/doc/html/fix_wall_piston.html
+++ b/doc/html/fix_wall_piston.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix wall/reflect command" href="fix_wall_reflect.html"/>
+ <link rel="prev" title="fix wall/gran command" href="fix_wall_gran.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,232 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix wall/piston command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +339,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix wall/piston command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +352,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_wall_reflect.html" class="btn btn-neutral float-right" title="fix wall/reflect command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_wall_gran.html" class="btn btn-neutral" title="fix wall/gran command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,13 +372,16 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">wall</span><span class="o">/</span><span class="n">piston</span> <span class="n">face</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>wall/piston = style name of this fix command</li>
-<li>face = <em>zlo</em></li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>pos</em> or <em>vel</em> or <em>ramp</em> or <em>units</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">wall/piston = style name of this fix command</p>
+</li>
+<li><p class="first">face = <em>zlo</em></p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>pos</em> or <em>vel</em> or <em>ramp</em> or <em>units</em></p>
<pre class="literal-block">
<em>pos</em> args = z
z = z coordinate at which the piston begins (distance units)
@@ -153,6 +397,8 @@
<em>lattice</em> = the wall position is defined in lattice units
<em>box</em> = the wall position is defined in simulation box units
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -233,6 +479,15 @@ displaces atoms directly rather than exerting a force on them.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_wall_reflect.html" class="btn btn-neutral float-right" title="fix wall/reflect command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_wall_gran.html" class="btn btn-neutral" title="fix wall/gran command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_wall_reflect.html b/doc/html/fix_wall_reflect.html
index 9df5dfe8efad15f533603add4035364098decea0..341610d8065f37a6ab6fa529fd6d26017bbeb8f0 100644
--- a/doc/html/fix_wall_reflect.html
+++ b/doc/html/fix_wall_reflect.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix wall/region command" href="fix_wall_region.html"/>
+ <link rel="prev" title="fix wall/piston command" href="fix_wall_piston.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix wall/reflect command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_wall_region.html" class="btn btn-neutral float-right" title="fix wall/region command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_wall_piston.html" class="btn btn-neutral" title="fix wall/piston command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -134,12 +374,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">wall</span><span class="o">/</span><span class="n">reflect</span> <span class="n">face</span> <span class="n">arg</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>wall/reflect = style name of this fix command</li>
-<li>one or more face/arg pairs may be appended</li>
-<li>face = <em>xlo</em> or <em>xhi</em> or <em>ylo</em> or <em>yhi</em> or <em>zlo</em> or <em>zhi</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">wall/reflect = style name of this fix command</p>
+</li>
+<li><p class="first">one or more face/arg pairs may be appended</p>
+</li>
+<li><p class="first">face = <em>xlo</em> or <em>xhi</em> or <em>ylo</em> or <em>yhi</em> or <em>zlo</em> or <em>zhi</em></p>
<pre class="literal-block">
<em>xlo</em>,<em>ylo</em>,<em>zlo</em> arg = EDGE or constant or variable
EDGE = current lo edge of simulation box
@@ -150,15 +392,17 @@
constant = number like 50.0 or 100.3 (distance units)
variable = <a class="reference internal" href="variable.html"><span class="doc">equal-style variable</span></a> like v_x or v_wiggle
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>units</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>units</em></p>
<pre class="literal-block">
<em>units</em> value = <em>lattice</em> or <em>box</em>
<em>lattice</em> = the wall position is defined in lattice units
<em>box</em> = the wall position is defined in simulation box units
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -252,7 +496,7 @@ position = c0 + A (1 - cos(omega*delta))
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -262,7 +506,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
@@ -296,6 +540,15 @@ error.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_wall_region.html" class="btn btn-neutral float-right" title="fix wall/region command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_wall_piston.html" class="btn btn-neutral" title="fix wall/piston command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_wall_region.html b/doc/html/fix_wall_region.html
index ba645d66efb73bd41b8f8c47fd17e70369dbb469..21962091e3f996e38850ce1aa1760683070a8008 100644
--- a/doc/html/fix_wall_region.html
+++ b/doc/html/fix_wall_region.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="fix wall/srd command" href="fix_wall_srd.html"/>
+ <link rel="prev" title="fix wall/reflect command" href="fix_wall_reflect.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix wall/region command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix wall/region command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_wall_srd.html" class="btn btn-neutral float-right" title="fix wall/srd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_wall_reflect.html" class="btn btn-neutral" title="fix wall/reflect command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -327,6 +567,15 @@ option for this fix.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_wall_srd.html" class="btn btn-neutral float-right" title="fix wall/srd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_wall_reflect.html" class="btn btn-neutral" title="fix wall/reflect command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fix_wall_srd.html b/doc/html/fix_wall_srd.html
index d244f4b0cb08f37c0049e9e769077bc8d23ff9b0..a43ce5e4b7b631438520926dc3a747565f9b9fcb 100644
--- a/doc/html/fix_wall_srd.html
+++ b/doc/html/fix_wall_srd.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Fixes" href="fixes.html"/>
+ <link rel="next" title="Computes" href="computes.html"/>
+ <link rel="prev" title="fix wall/region command" href="fix_wall_region.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,231 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fixes</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">fix wall/srd command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +338,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="fixes.html">Fixes</a> »</li>
+
<li>fix wall/srd command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +351,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="computes.html" class="btn btn-neutral float-right" title="Computes" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_wall_region.html" class="btn btn-neutral" title="fix wall/region command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +371,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">wall</span><span class="o">/</span><span class="n">srd</span> <span class="n">face</span> <span class="n">arg</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
-<li>wall/srd = style name of this fix command</li>
-<li>one or more face/arg pairs may be appended</li>
-<li>face = <em>xlo</em> or <em>xhi</em> or <em>ylo</em> or <em>yhi</em> or <em>zlo</em> or <em>zhi</em></li>
-</ul>
+<ul>
+<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p>
+</li>
+<li><p class="first">wall/srd = style name of this fix command</p>
+</li>
+<li><p class="first">one or more face/arg pairs may be appended</p>
+</li>
+<li><p class="first">face = <em>xlo</em> or <em>xhi</em> or <em>ylo</em> or <em>yhi</em> or <em>zlo</em> or <em>zhi</em></p>
<pre class="literal-block">
<em>xlo</em>,<em>ylo</em>,<em>zlo</em> arg = EDGE or constant or variable
EDGE = current lo edge of simulation box
@@ -147,15 +389,17 @@
constant = number like 50.0 or 100.3 (distance units)
variable = <a class="reference internal" href="variable.html"><span class="doc">equal-style variable</span></a> like v_x or v_wiggle
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>units</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>units</em></p>
<pre class="literal-block">
<em>units</em> value = <em>lattice</em> or <em>box</em>
<em>lattice</em> = the wall position is defined in lattice units
<em>box</em> = the wall position is defined in simulation box units
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -313,6 +557,15 @@ the <a class="reference internal" href="run.html"><span class="doc">run</span></
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="computes.html" class="btn btn-neutral float-right" title="Computes" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_wall_region.html" class="btn btn-neutral" title="fix wall/region command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/fixes.html b/doc/html/fixes.html
new file mode 100644
index 0000000000000000000000000000000000000000..4c2b19e026f568aec08b6e5a12708389e207ca62
--- /dev/null
+++ b/doc/html/fixes.html
@@ -0,0 +1,640 @@
+
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+ <title>Fixes — LAMMPS documentation</title>
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+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_tools.html">9. Additional tools</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying & extending LAMMPS</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
+</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1 current"><a class="current reference internal" href="#">Fixes</a><ul>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
+
+
+
+ </div>
+
+ </nav>
+
+ <section data-toggle="wy-nav-shift" class="wy-nav-content-wrap">
+
+
+ <nav class="wy-nav-top" role="navigation" aria-label="top navigation">
+ <i data-toggle="wy-nav-top" class="fa fa-bars"></i>
+ <a href="Manual.html">LAMMPS</a>
+ </nav>
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+ <div class="wy-nav-content">
+ <div class="rst-content">
+ <div role="navigation" aria-label="breadcrumbs navigation">
+ <ul class="wy-breadcrumbs">
+ <li><a href="Manual.html">Docs</a> »</li>
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+ <li>Fixes</li>
+ <li class="wy-breadcrumbs-aside">
+
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+ <a href="http://lammps.sandia.gov">Website</a>
+ <a href="Section_commands.html#comm">Commands</a>
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+ </ul>
+ <hr/>
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+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_adapt.html" class="btn btn-neutral float-right" title="fix adapt command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
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+ <a href="write_restart.html" class="btn btn-neutral" title="write_restart command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
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+ <div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
+ <div itemprop="articleBody">
+
+ <div class="section" id="fixes">
+<h1>Fixes</h1>
+<div class="toctree-wrapper compound">
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_ave_time.html">fix ave/time command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_deform.html#fix-deform-kk-command">fix deform/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_external.html">fix external command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_gravity.html#fix-gravity-omp-command">fix gravity/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_langevin.html#fix-langevin-kk-command">fix langevin/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_lb_pc.html">fix lb/pc command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_lb_rigid_pc_sphere.html">fix lb/rigid/pc/sphere command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_meso.html">fix meso command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_meso_stationary.html">fix meso/stationary command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_move.html">fix move command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nh.html#fix-nvt-intel-command">fix nvt/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nh.html#fix-nvt-kk-command">fix nvt/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nh.html#fix-nvt-omp-command">fix nvt/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nh.html#fix-npt-intel-command">fix npt/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nh.html#fix-npt-kk-command">fix npt/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nh.html#fix-npt-omp-command">fix npt/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nh.html#fix-nph-kk-command">fix nph/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nh.html#fix-nph-omp-command">fix nph/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nph_asphere.html#fix-nph-asphere-omp-command">fix nph/asphere/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nph_sphere.html#fix-nph-sphere-omp-command">fix nph/sphere/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nphug.html#fix-nphug-omp-command">fix nphug/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_npt_asphere.html#fix-npt-asphere-omp-command">fix npt/asphere/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_npt_sphere.html#fix-npt-sphere-omp-command">fix npt/sphere/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve.html#fix-nve-intel-command">fix nve/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve.html#fix-nve-kk-command">fix nve/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve.html#fix-nve-omp-command">fix nve/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve_asphere.html#fix-nve-asphere-intel-command">fix nve/asphere/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve_sphere.html#fix-nve-sphere-omp-command">fix nve/sphere/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nvt_asphere.html#fix-nvt-asphere-omp-command">fix nvt/asphere/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-intel-command">fix nvt/sllod/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nvt_sllod.html#fix-nvt-sllod-omp-command">fix nvt/sllod/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_nvt_sphere.html#fix-nvt-sphere-omp-command">fix nvt/sphere/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_pimd.html">fix pimd command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_poems.html">fix poems</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_print.html">fix print command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_qeq_comb.html#fix-qeq-comb-omp-command">fix qeq/comb/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_qeq_reax.html">fix qeq/reax command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_qeq_reax.html#fix-qeq-reax-kk-command">fix qeq/reax/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_reax_bonds.html">fix reax/bonds command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_reax_bonds.html#fix-reax-c-bonds-command">fix reax/c/bonds command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_reaxc_species.html">fix reax/c/species command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_setforce.html#fix-setforce-kk-command">fix setforce/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_ti_rs.html">fix ti/rs command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_wall_reflect.html#fix-wall-reflect-kk-command">fix wall/reflect/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
+</ul>
+</div>
+</div>
+
+
+ </div>
+ </div>
+ <footer>
+
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="fix_adapt.html" class="btn btn-neutral float-right" title="fix adapt command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="write_restart.html" class="btn btn-neutral" title="write_restart command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
+
+ <hr/>
+
+ <div role="contentinfo">
+ <p>
+ © Copyright 2013 Sandia Corporation.
+ </p>
+ </div>
+ Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a <a href="https://github.com/snide/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>.
+
+</footer>
+
+ </div>
+ </div>
+
+ </section>
+
+ </div>
+
+
+
+
+
+ <script type="text/javascript">
+ var DOCUMENTATION_OPTIONS = {
+ URL_ROOT:'./',
+ VERSION:'',
+ COLLAPSE_INDEX:false,
+ FILE_SUFFIX:'.html',
+ HAS_SOURCE: true
+ };
+ </script>
+ <script type="text/javascript" src="_static/jquery.js"></script>
+ <script type="text/javascript" src="_static/underscore.js"></script>
+ <script type="text/javascript" src="_static/doctools.js"></script>
+ <script type="text/javascript" src="https://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML"></script>
+ <script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2/js/jquery-1.11.0.min.js"></script>
+ <script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2/js/lightbox.min.js"></script>
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+ <script type="text/javascript" src="_static/js/theme.js"></script>
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+
+ <script type="text/javascript">
+ jQuery(function () {
+ SphinxRtdTheme.StickyNav.enable();
+ });
+ </script>
+
+
+</body>
+</html>
\ No newline at end of file
diff --git a/doc/html/genindex.html b/doc/html/genindex.html
index b40e27bf00b9f99deb9a96737fe1491fa276f180..e12b6894dbba307e9a2e1dae6e50e77ef4f03cc9 100644
--- a/doc/html/genindex.html
+++ b/doc/html/genindex.html
@@ -72,7 +72,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -87,6 +88,18 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
diff --git a/doc/html/group.html b/doc/html/group.html
index 009ce0deea292a449a14ffbd8657b235144c203a..f184e61d1bc27c473431bc1faa723dfb85b6abbd 100644
--- a/doc/html/group.html
+++ b/doc/html/group.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="group2ndx command" href="group2ndx.html"/>
+ <link rel="prev" title="fix_modify command" href="fix_modify.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">group command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>group command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="group2ndx.html" class="btn btn-neutral float-right" title="group2ndx command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_modify.html" class="btn btn-neutral" title="fix_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,10 +275,10 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">group</span> <span class="n">ID</span> <span class="n">style</span> <span class="n">args</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID = user-defined name of the group</li>
-<li>style = <em>delete</em> or <em>region</em> or <em>type</em> or <em>id</em> or <em>molecule</em> or <em>variable</em> or <em>include</em> or <em>subtract</em> or <em>union</em> or <em>intersect</em> or <em>dynamic</em> or <em>static</em></li>
-</ul>
+<ul>
+<li><p class="first">ID = user-defined name of the group</p>
+</li>
+<li><p class="first">style = <em>delete</em> or <em>region</em> or <em>type</em> or <em>id</em> or <em>molecule</em> or <em>variable</em> or <em>include</em> or <em>subtract</em> or <em>union</em> or <em>intersect</em> or <em>dynamic</em> or <em>static</em></p>
<pre class="literal-block">
<em>delete</em> = no args
<em>clear</em> = no args
@@ -164,6 +308,8 @@
<em>every</em> value = N = update group every this many timesteps
<em>static</em> = no args
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -329,7 +475,7 @@ per-atom values are 0.0, are removed from the dynamic group.</p>
each run and on every timestep that is a multiple of <em>N</em>, which is the
argument for the <em>every</em> keyword (N = 1 is the default). For an
energy minimization, via the <a class="reference internal" href="minimize.html"><span class="doc">minimize</span></a> command, an
-assignement is made at the beginning of the minimization, but not
+assignment is made at the beginning of the minimization, but not
during the iterations of the minimizer.</p>
<p>The point in the timestep at which atoms are assigned to a dynamic
group is after the initial stage of velocity Verlet time integration
@@ -398,6 +544,15 @@ those currently in the dynamic group.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="group2ndx.html" class="btn btn-neutral float-right" title="group2ndx command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="fix_modify.html" class="btn btn-neutral" title="fix_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/group2ndx.html b/doc/html/group2ndx.html
index c86c45ef758392084cc1aecef5b1bc35e17ff8c0..f693217530238526e3252f3218dd6a3e818267cb 100644
--- a/doc/html/group2ndx.html
+++ b/doc/html/group2ndx.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="if command" href="if.html"/>
+ <link rel="prev" title="group command" href="group.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#ndx2group-command">ndx2group command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>group2ndx command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="if.html" class="btn btn-neutral float-right" title="if command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="group.html" class="btn btn-neutral" title="group command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -188,6 +331,15 @@ enabled if LAMMPS was built with that package. See the <a class="reference inte
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="if.html" class="btn btn-neutral float-right" title="if command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="group.html" class="btn btn-neutral" title="group command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/if.html b/doc/html/if.html
index fe0350f9d527c1f48a1113a921222ec14a32784b..de58943f6e04f68ce9ebbcbda326e608ee53fc05 100644
--- a/doc/html/if.html
+++ b/doc/html/if.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="improper_coeff command" href="improper_coeff.html"/>
+ <link rel="prev" title="group2ndx command" href="group2ndx.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">if command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>if command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_coeff.html" class="btn btn-neutral float-right" title="improper_coeff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="group2ndx.html" class="btn btn-neutral" title="group2ndx command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -186,7 +329,7 @@ above.</p>
<p class="last">If a command itself requires a quoted argument (e.g. a
<a class="reference internal" href="print.html"><span class="doc">print</span></a> command), then double and single quotes can be used
and nested in the usual manner, as in the examples above and below.
-See <a class="reference internal" href="Section_commands.html#cmd-2"><span class="std std-ref">Section_commands 2</span></a> of the manual for
+See <a class="reference internal" href="Section_commands.html#cmd-2"><span class="std std-ref">Section 3.2</span></a> of the manual for
more details on using quotes in arguments. Only one of level of
nesting is allowed, but that should be sufficient for most use cases.</p>
</div>
@@ -254,9 +397,9 @@ contain alphanumeric characters or underscores):</p>
InP, myString, a123, ab_23_cd, etc
</pre>
<p>and Boolean operators:</p>
-<div class="highlight-default"><div class="highlight"><pre><span></span>A == B, A != B, A < B, A <= B, A > B, A >= B, A && B, A || B, !A
-</pre></div>
-</div>
+<pre class="literal-block">
+A == B, A != B, A < B, A <= B, A > B, A >= B, A && B, A || B, !A
+</pre>
<p>Each A and B is a number or string or a variable reference like $a or
${abc}, or A or B can be another Boolean expression.</p>
<p>If a variable is used it can produce a number when evaluated, like an
@@ -307,6 +450,15 @@ non-zero. If the result is zero, the expression result is FALSE.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_coeff.html" class="btn btn-neutral float-right" title="improper_coeff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="group2ndx.html" class="btn btn-neutral" title="group2ndx command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/improper_class2.html b/doc/html/improper_class2.html
index 0d39e5935a92721120af928e64e44738218b8ae7..9c611dd03d6199e201b6266e1c3d7f05ce0097cc 100644
--- a/doc/html/improper_class2.html
+++ b/doc/html/improper_class2.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Improper Styles" href="impropers.html"/>
+ <link rel="next" title="improper_style cossq command" href="improper_cossq.html"/>
+ <link rel="prev" title="Improper Styles" href="impropers.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,48 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="impropers.html">Improper Styles</a><ul class="current">
+<li class="toctree-l2 current"><a class="current reference internal" href="#">improper_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#improper-style-class2-omp-command">improper_style class2/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html">improper_style cossq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html#improper-style-cossq-omp-command">improper_style cossq/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html">improper_style cvff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-intel-command">improper_style cvff/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-omp-command">improper_style cvff/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_distance.html">improper_style distance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html">improper_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html#improper-style-fourier-omp-command">improper_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html">improper_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-intel-command">improper_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-kk-command">improper_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-omp-command">improper_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_hybrid.html">improper_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_none.html">improper_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html">improper_style ring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html#improper-style-ring-omp-command">improper_style ring/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html">improper_style umbrella command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html#improper-style-umbrella-omp-command">improper_style umbrella/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_zero.html">improper_style zero command</a></li>
+</ul>
+</li>
+</ul>
@@ -109,6 +155,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="impropers.html">Improper Styles</a> »</li>
+
<li>improper_style class2 command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +168,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_cossq.html" class="btn btn-neutral float-right" title="improper_style cossq command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="impropers.html" class="btn btn-neutral" title="Improper Styles" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -199,7 +256,7 @@ radians internally; hence the units of M are in energy/radian^2.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -209,7 +266,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -233,6 +290,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_cossq.html" class="btn btn-neutral float-right" title="improper_style cossq command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="impropers.html" class="btn btn-neutral" title="Improper Styles" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/improper_coeff.html b/doc/html/improper_coeff.html
index a457db67364739787cab15ba8ef70e4e93fa6766..9e2afcbb2c14bc97aa7a341d0af51fe1c777bba4 100644
--- a/doc/html/improper_coeff.html
+++ b/doc/html/improper_coeff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="improper_style command" href="improper_style.html"/>
+ <link rel="prev" title="if command" href="if.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">improper_coeff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>improper_coeff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_style.html" class="btn btn-neutral float-right" title="improper_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="if.html" class="btn btn-neutral" title="if command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -218,6 +361,15 @@ set, either in the input script or in a data file.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_style.html" class="btn btn-neutral float-right" title="improper_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="if.html" class="btn btn-neutral" title="if command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/improper_cossq.html b/doc/html/improper_cossq.html
index 28c2370f0925779269918a41b67d229616b4546b..8b6a11ba8cee5d7cfdbb9ee9b8d34928b59ecbe9 100644
--- a/doc/html/improper_cossq.html
+++ b/doc/html/improper_cossq.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Improper Styles" href="impropers.html"/>
+ <link rel="next" title="improper_style cvff command" href="improper_cvff.html"/>
+ <link rel="prev" title="improper_style class2 command" href="improper_class2.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,48 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="impropers.html">Improper Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html">improper_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html#improper-style-class2-omp-command">improper_style class2/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">improper_style cossq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#improper-style-cossq-omp-command">improper_style cossq/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html">improper_style cvff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-intel-command">improper_style cvff/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-omp-command">improper_style cvff/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_distance.html">improper_style distance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html">improper_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html#improper-style-fourier-omp-command">improper_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html">improper_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-intel-command">improper_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-kk-command">improper_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-omp-command">improper_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_hybrid.html">improper_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_none.html">improper_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html">improper_style ring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html#improper-style-ring-omp-command">improper_style ring/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html">improper_style umbrella command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html#improper-style-umbrella-omp-command">improper_style umbrella/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_zero.html">improper_style zero command</a></li>
+</ul>
+</li>
+</ul>
@@ -109,6 +155,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="impropers.html">Improper Styles</a> »</li>
+
<li>improper_style cossq command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +168,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_cvff.html" class="btn btn-neutral float-right" title="improper_style cvff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_class2.html" class="btn btn-neutral" title="improper_style class2 command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -173,7 +230,7 @@ internally; hence the units of K are in energy/radian^2.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -183,7 +240,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -205,6 +262,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_cvff.html" class="btn btn-neutral float-right" title="improper_style cvff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_class2.html" class="btn btn-neutral" title="improper_style class2 command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/improper_cvff.html b/doc/html/improper_cvff.html
index 461f02eeab2bbee6331e14658746419c782cf8e8..5630eac5ac0a053dfa476c33a505f259c5e4c61e 100644
--- a/doc/html/improper_cvff.html
+++ b/doc/html/improper_cvff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Improper Styles" href="impropers.html"/>
+ <link rel="next" title="improper_style distance command" href="improper_distance.html"/>
+ <link rel="prev" title="improper_style cossq command" href="improper_cossq.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,48 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="impropers.html">Improper Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html">improper_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html#improper-style-class2-omp-command">improper_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html">improper_style cossq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html#improper-style-cossq-omp-command">improper_style cossq/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">improper_style cvff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#improper-style-cvff-intel-command">improper_style cvff/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#improper-style-cvff-omp-command">improper_style cvff/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="improper_distance.html">improper_style distance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html">improper_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html#improper-style-fourier-omp-command">improper_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html">improper_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-intel-command">improper_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-kk-command">improper_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-omp-command">improper_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_hybrid.html">improper_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_none.html">improper_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html">improper_style ring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html#improper-style-ring-omp-command">improper_style ring/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html">improper_style umbrella command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html#improper-style-umbrella-omp-command">improper_style umbrella/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_zero.html">improper_style zero command</a></li>
+</ul>
+</li>
+</ul>
@@ -109,6 +155,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="impropers.html">Improper Styles</a> »</li>
+
<li>improper_style cvff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +168,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_distance.html" class="btn btn-neutral float-right" title="improper_style distance command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_cossq.html" class="btn btn-neutral" title="improper_style cossq command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -174,7 +231,7 @@ commands:</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -184,7 +241,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -205,6 +262,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_distance.html" class="btn btn-neutral float-right" title="improper_style distance command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_cossq.html" class="btn btn-neutral" title="improper_style cossq command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/improper_distance.html b/doc/html/improper_distance.html
index 3f42cef8d0eb0809bc71736b4c49c611dabca758..223725e8f7fff3a4feec1fb0acbd9ef4289936d9 100644
--- a/doc/html/improper_distance.html
+++ b/doc/html/improper_distance.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Improper Styles" href="impropers.html"/>
+ <link rel="next" title="improper_style fourier command" href="improper_fourier.html"/>
+ <link rel="prev" title="improper_style cvff command" href="improper_cvff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,48 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="impropers.html">Improper Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html">improper_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html#improper-style-class2-omp-command">improper_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html">improper_style cossq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html#improper-style-cossq-omp-command">improper_style cossq/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html">improper_style cvff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-intel-command">improper_style cvff/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-omp-command">improper_style cvff/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">improper_style distance command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html">improper_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html#improper-style-fourier-omp-command">improper_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html">improper_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-intel-command">improper_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-kk-command">improper_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-omp-command">improper_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_hybrid.html">improper_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_none.html">improper_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html">improper_style ring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html#improper-style-ring-omp-command">improper_style ring/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html">improper_style umbrella command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html#improper-style-umbrella-omp-command">improper_style umbrella/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_zero.html">improper_style zero command</a></li>
+</ul>
+</li>
+</ul>
@@ -109,6 +155,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="impropers.html">Improper Styles</a> »</li>
+
<li>improper_style distance command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +168,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_fourier.html" class="btn btn-neutral float-right" title="improper_style fourier command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_cvff.html" class="btn btn-neutral" title="improper_style cvff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -178,6 +235,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_fourier.html" class="btn btn-neutral float-right" title="improper_style fourier command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_cvff.html" class="btn btn-neutral" title="improper_style cvff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/improper_fourier.html b/doc/html/improper_fourier.html
index be22144ccf38a7b0e6c5f1ce934de68f635b4b5b..dd3c91f139c637847b5990ced365e4f5812ceb81 100644
--- a/doc/html/improper_fourier.html
+++ b/doc/html/improper_fourier.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Improper Styles" href="impropers.html"/>
+ <link rel="next" title="improper_style harmonic command" href="improper_harmonic.html"/>
+ <link rel="prev" title="improper_style distance command" href="improper_distance.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,48 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="impropers.html">Improper Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html">improper_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html#improper-style-class2-omp-command">improper_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html">improper_style cossq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html#improper-style-cossq-omp-command">improper_style cossq/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html">improper_style cvff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-intel-command">improper_style cvff/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-omp-command">improper_style cvff/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_distance.html">improper_style distance command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">improper_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#improper-style-fourier-omp-command">improper_style fourier/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html">improper_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-intel-command">improper_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-kk-command">improper_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-omp-command">improper_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_hybrid.html">improper_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_none.html">improper_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html">improper_style ring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html#improper-style-ring-omp-command">improper_style ring/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html">improper_style umbrella command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html#improper-style-umbrella-omp-command">improper_style umbrella/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_zero.html">improper_style zero command</a></li>
+</ul>
+</li>
+</ul>
@@ -109,6 +155,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="impropers.html">Improper Styles</a> »</li>
+
<li>improper_style fourier command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +168,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_harmonic.html" class="btn btn-neutral float-right" title="improper_style harmonic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_distance.html" class="btn btn-neutral" title="improper_style distance command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -166,7 +223,7 @@ commands:</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -176,7 +233,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -198,6 +255,15 @@ section for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_harmonic.html" class="btn btn-neutral float-right" title="improper_style harmonic command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_distance.html" class="btn btn-neutral" title="improper_style distance command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/improper_harmonic.html b/doc/html/improper_harmonic.html
index 11553c018765630a43fdf0cad5b7e3a8758d0fd6..16fad7da6e0329b9c1f053ebf3afd710471679d2 100644
--- a/doc/html/improper_harmonic.html
+++ b/doc/html/improper_harmonic.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Improper Styles" href="impropers.html"/>
+ <link rel="next" title="improper_style hybrid command" href="improper_hybrid.html"/>
+ <link rel="prev" title="improper_style fourier command" href="improper_fourier.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,48 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="impropers.html">Improper Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html">improper_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html#improper-style-class2-omp-command">improper_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html">improper_style cossq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html#improper-style-cossq-omp-command">improper_style cossq/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html">improper_style cvff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-intel-command">improper_style cvff/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-omp-command">improper_style cvff/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_distance.html">improper_style distance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html">improper_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html#improper-style-fourier-omp-command">improper_style fourier/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">improper_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#improper-style-harmonic-intel-command">improper_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#improper-style-harmonic-kk-command">improper_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#improper-style-harmonic-omp-command">improper_style harmonic/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="improper_hybrid.html">improper_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_none.html">improper_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html">improper_style ring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html#improper-style-ring-omp-command">improper_style ring/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html">improper_style umbrella command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html#improper-style-umbrella-omp-command">improper_style umbrella/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_zero.html">improper_style zero command</a></li>
+</ul>
+</li>
+</ul>
@@ -109,6 +155,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="impropers.html">Improper Styles</a> »</li>
+
<li>improper_style harmonic command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +168,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_hybrid.html" class="btn btn-neutral float-right" title="improper_style hybrid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_fourier.html" class="btn btn-neutral" title="improper_style fourier command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -179,7 +236,7 @@ internally; hence the units of K are in energy/radian^2.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -189,7 +246,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -210,6 +267,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_hybrid.html" class="btn btn-neutral float-right" title="improper_style hybrid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_fourier.html" class="btn btn-neutral" title="improper_style fourier command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/improper_hybrid.html b/doc/html/improper_hybrid.html
index 742c0c785e18732cfede9bf3dab2bf5420f90dcf..b1b6f7dfd4a73eb7cea543a30492ceebb41576ba 100644
--- a/doc/html/improper_hybrid.html
+++ b/doc/html/improper_hybrid.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Improper Styles" href="impropers.html"/>
+ <link rel="next" title="improper_style none command" href="improper_none.html"/>
+ <link rel="prev" title="improper_style harmonic command" href="improper_harmonic.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,48 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="impropers.html">Improper Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html">improper_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html#improper-style-class2-omp-command">improper_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html">improper_style cossq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html#improper-style-cossq-omp-command">improper_style cossq/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html">improper_style cvff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-intel-command">improper_style cvff/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-omp-command">improper_style cvff/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_distance.html">improper_style distance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html">improper_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html#improper-style-fourier-omp-command">improper_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html">improper_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-intel-command">improper_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-kk-command">improper_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-omp-command">improper_style harmonic/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">improper_style hybrid command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="improper_none.html">improper_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html">improper_style ring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html#improper-style-ring-omp-command">improper_style ring/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html">improper_style umbrella command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html#improper-style-umbrella-omp-command">improper_style umbrella/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_zero.html">improper_style zero command</a></li>
+</ul>
+</li>
+</ul>
@@ -109,6 +155,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="impropers.html">Improper Styles</a> »</li>
+
<li>improper_style hybrid command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +168,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_none.html" class="btn btn-neutral float-right" title="improper_style none command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_harmonic.html" class="btn btn-neutral" title="improper_style harmonic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -191,6 +248,15 @@ restart file, you need to re-specify improper_coeff commands.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_none.html" class="btn btn-neutral float-right" title="improper_style none command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_harmonic.html" class="btn btn-neutral" title="improper_style harmonic command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/improper_none.html b/doc/html/improper_none.html
index daeabe51969af0a9498ef89ba574a1bc98dc402f..f5ff88c9583b0e9c6097965baffa18bfda250c9b 100644
--- a/doc/html/improper_none.html
+++ b/doc/html/improper_none.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Improper Styles" href="impropers.html"/>
+ <link rel="next" title="improper_style ring command" href="improper_ring.html"/>
+ <link rel="prev" title="improper_style hybrid command" href="improper_hybrid.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,48 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="impropers.html">Improper Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html">improper_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html#improper-style-class2-omp-command">improper_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html">improper_style cossq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html#improper-style-cossq-omp-command">improper_style cossq/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html">improper_style cvff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-intel-command">improper_style cvff/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-omp-command">improper_style cvff/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_distance.html">improper_style distance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html">improper_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html#improper-style-fourier-omp-command">improper_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html">improper_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-intel-command">improper_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-kk-command">improper_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-omp-command">improper_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_hybrid.html">improper_style hybrid command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">improper_style none command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html">improper_style ring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html#improper-style-ring-omp-command">improper_style ring/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html">improper_style umbrella command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html#improper-style-umbrella-omp-command">improper_style umbrella/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_zero.html">improper_style zero command</a></li>
+</ul>
+</li>
+</ul>
@@ -109,6 +155,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="impropers.html">Improper Styles</a> »</li>
+
<li>improper_style none command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +168,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_ring.html" class="btn btn-neutral float-right" title="improper_style ring command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_hybrid.html" class="btn btn-neutral" title="improper_style hybrid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -163,6 +220,15 @@ calculate improper statistics, but compute no improper interactions.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_ring.html" class="btn btn-neutral float-right" title="improper_style ring command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_hybrid.html" class="btn btn-neutral" title="improper_style hybrid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/improper_ring.html b/doc/html/improper_ring.html
index 0e7e4330b030d3154f55a95a222d0ee8f91003fe..1b6d24114c8fa4ebd67e9ed0583d9eefe8d104af 100644
--- a/doc/html/improper_ring.html
+++ b/doc/html/improper_ring.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Improper Styles" href="impropers.html"/>
+ <link rel="next" title="improper_style umbrella command" href="improper_umbrella.html"/>
+ <link rel="prev" title="improper_style none command" href="improper_none.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,48 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="impropers.html">Improper Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html">improper_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html#improper-style-class2-omp-command">improper_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html">improper_style cossq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html#improper-style-cossq-omp-command">improper_style cossq/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html">improper_style cvff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-intel-command">improper_style cvff/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-omp-command">improper_style cvff/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_distance.html">improper_style distance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html">improper_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html#improper-style-fourier-omp-command">improper_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html">improper_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-intel-command">improper_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-kk-command">improper_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-omp-command">improper_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_hybrid.html">improper_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_none.html">improper_style none command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">improper_style ring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#improper-style-ring-omp-command">improper_style ring/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html">improper_style umbrella command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html#improper-style-umbrella-omp-command">improper_style umbrella/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_zero.html">improper_style zero command</a></li>
+</ul>
+</li>
+</ul>
@@ -109,6 +155,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="impropers.html">Improper Styles</a> »</li>
+
<li>improper_style ring command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +168,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_umbrella.html" class="btn btn-neutral float-right" title="improper_style umbrella command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_none.html" class="btn btn-neutral" title="improper_style none command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -177,7 +234,7 @@ internally; hence the units of K are in energy/radian^2.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -187,7 +244,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -210,6 +267,15 @@ J Chem Phys, 112, 9632 (2000).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_umbrella.html" class="btn btn-neutral float-right" title="improper_style umbrella command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_none.html" class="btn btn-neutral" title="improper_style none command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/improper_style.html b/doc/html/improper_style.html
index cd71f9a56778231c42e1ceafa2a721c5d75878b8..fdb17660c8770b69c7159b2cdaf91fc18a2a0a75 100644
--- a/doc/html/improper_style.html
+++ b/doc/html/improper_style.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="include command" href="include.html"/>
+ <link rel="prev" title="improper_coeff command" href="improper_coeff.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">improper_style command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>improper_style command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="include.html" class="btn btn-neutral float-right" title="include command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_coeff.html" class="btn btn-neutral" title="improper_coeff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -219,6 +363,15 @@ improper_style none
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="include.html" class="btn btn-neutral float-right" title="include command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_coeff.html" class="btn btn-neutral" title="improper_coeff command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/improper_umbrella.html b/doc/html/improper_umbrella.html
index de79db67ef2dbe302643ee9ccc14488de34ae510..45b6320acc0980dcdcf04f97ecbe77f4ae00f73c 100644
--- a/doc/html/improper_umbrella.html
+++ b/doc/html/improper_umbrella.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Improper Styles" href="impropers.html"/>
+ <link rel="next" title="improper_style zero command" href="improper_zero.html"/>
+ <link rel="prev" title="improper_style ring command" href="improper_ring.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,48 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="impropers.html">Improper Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html">improper_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html#improper-style-class2-omp-command">improper_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html">improper_style cossq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html#improper-style-cossq-omp-command">improper_style cossq/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html">improper_style cvff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-intel-command">improper_style cvff/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-omp-command">improper_style cvff/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_distance.html">improper_style distance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html">improper_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html#improper-style-fourier-omp-command">improper_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html">improper_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-intel-command">improper_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-kk-command">improper_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-omp-command">improper_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_hybrid.html">improper_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_none.html">improper_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html">improper_style ring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html#improper-style-ring-omp-command">improper_style ring/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">improper_style umbrella command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#improper-style-umbrella-omp-command">improper_style umbrella/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="improper_zero.html">improper_style zero command</a></li>
+</ul>
+</li>
+</ul>
@@ -109,6 +155,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="impropers.html">Improper Styles</a> »</li>
+
<li>improper_style umbrella command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +168,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_zero.html" class="btn btn-neutral float-right" title="improper_style zero command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_ring.html" class="btn btn-neutral" title="improper_style ring command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -168,7 +225,7 @@ commands:</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -178,7 +235,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<hr class="docutils" />
@@ -202,6 +259,15 @@ MOLECULE package (which it is by default). See the <a class="reference internal
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="improper_zero.html" class="btn btn-neutral float-right" title="improper_style zero command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_ring.html" class="btn btn-neutral" title="improper_style ring command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/improper_zero.html b/doc/html/improper_zero.html
index 8fcf52d50c098c685469630d1545838872c19138..1ffb0f7483550558c0443d746e61ff1ffa72b249 100644
--- a/doc/html/improper_zero.html
+++ b/doc/html/improper_zero.html
@@ -32,7 +32,9 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Improper Styles" href="impropers.html"/>
+ <link rel="prev" title="improper_style umbrella command" href="improper_umbrella.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +73,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +89,47 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="impropers.html">Improper Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html">improper_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html#improper-style-class2-omp-command">improper_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html">improper_style cossq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html#improper-style-cossq-omp-command">improper_style cossq/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html">improper_style cvff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-intel-command">improper_style cvff/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-omp-command">improper_style cvff/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_distance.html">improper_style distance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html">improper_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html#improper-style-fourier-omp-command">improper_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html">improper_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-intel-command">improper_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-kk-command">improper_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-omp-command">improper_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_hybrid.html">improper_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_none.html">improper_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html">improper_style ring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html#improper-style-ring-omp-command">improper_style ring/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html">improper_style umbrella command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html#improper-style-umbrella-omp-command">improper_style umbrella/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">improper_style zero command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+</ul>
+</li>
+</ul>
@@ -109,6 +153,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="impropers.html">Improper Styles</a> »</li>
+
<li>improper_style zero command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +166,13 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+
+ <a href="improper_umbrella.html" class="btn btn-neutral" title="improper_style umbrella command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -172,6 +225,13 @@ specified.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+
+ <a href="improper_umbrella.html" class="btn btn-neutral" title="improper_style umbrella command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/impropers.html b/doc/html/impropers.html
new file mode 100644
index 0000000000000000000000000000000000000000..28f57943496906a46460c910355ebcbc3954cfd2
--- /dev/null
+++ b/doc/html/impropers.html
@@ -0,0 +1,274 @@
+
+
+<!DOCTYPE html>
+<!--[if IE 8]><html class="no-js lt-ie9" lang="en" > <![endif]-->
+<!--[if gt IE 8]><!--> <html class="no-js" lang="en" > <!--<![endif]-->
+<head>
+ <meta charset="utf-8">
+
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+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_tools.html">9. Additional tools</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying & extending LAMMPS</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
+<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
+</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1 current"><a class="current reference internal" href="#">Improper Styles</a><ul>
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html">improper_style class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_class2.html#improper-style-class2-omp-command">improper_style class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html">improper_style cossq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cossq.html#improper-style-cossq-omp-command">improper_style cossq/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html">improper_style cvff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-intel-command">improper_style cvff/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-omp-command">improper_style cvff/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_distance.html">improper_style distance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html">improper_style fourier command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_fourier.html#improper-style-fourier-omp-command">improper_style fourier/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html">improper_style harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-intel-command">improper_style harmonic/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-kk-command">improper_style harmonic/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-omp-command">improper_style harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_hybrid.html">improper_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_none.html">improper_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html">improper_style ring command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_ring.html#improper-style-ring-omp-command">improper_style ring/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html">improper_style umbrella command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_umbrella.html#improper-style-umbrella-omp-command">improper_style umbrella/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_zero.html">improper_style zero command</a></li>
+</ul>
+</li>
+</ul>
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+ <nav class="wy-nav-top" role="navigation" aria-label="top navigation">
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+ <div class="section" id="improper-styles">
+<h1>Improper Styles</h1>
+<div class="toctree-wrapper compound">
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="improper_class2.html">improper_style class2 command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_class2.html#improper-style-class2-omp-command">improper_style class2/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_cossq.html">improper_style cossq command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_cossq.html#improper-style-cossq-omp-command">improper_style cossq/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_cvff.html">improper_style cvff command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-intel-command">improper_style cvff/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_cvff.html#improper-style-cvff-omp-command">improper_style cvff/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_distance.html">improper_style distance command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_fourier.html">improper_style fourier command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_fourier.html#improper-style-fourier-omp-command">improper_style fourier/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_harmonic.html">improper_style harmonic command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-intel-command">improper_style harmonic/intel command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-kk-command">improper_style harmonic/kk command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_harmonic.html#improper-style-harmonic-omp-command">improper_style harmonic/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_hybrid.html">improper_style hybrid command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_none.html">improper_style none command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_ring.html">improper_style ring command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_ring.html#improper-style-ring-omp-command">improper_style ring/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_umbrella.html">improper_style umbrella command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_umbrella.html#improper-style-umbrella-omp-command">improper_style umbrella/omp command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="improper_zero.html">improper_style zero command</a></li>
+</ul>
+</div>
+</div>
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\ No newline at end of file
diff --git a/doc/html/include.html b/doc/html/include.html
index 4abdf2f07966f3a2f691421dccebe7e4da299010..b26b11bd541c0c30d072d7e402d8f98eaf67bdc3 100644
--- a/doc/html/include.html
+++ b/doc/html/include.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="info command" href="info.html"/>
+ <link rel="prev" title="improper_style command" href="improper_style.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">include command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>include command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="info.html" class="btn btn-neutral float-right" title="info command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_style.html" class="btn btn-neutral" title="improper_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -170,6 +313,15 @@ scripts.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="info.html" class="btn btn-neutral float-right" title="info command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="improper_style.html" class="btn btn-neutral" title="improper_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/info.html b/doc/html/info.html
index b60c5a6b9d45f2d29e82c6fe96adfb51a381ede6..7aa2ce41fb7f045fa4a1f60a9995ab78a4fc8da8 100644
--- a/doc/html/info.html
+++ b/doc/html/info.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="jump command" href="jump.html"/>
+ <link rel="prev" title="include command" href="include.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">info command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>info command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="jump.html" class="btn btn-neutral float-right" title="jump command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="include.html" class="btn btn-neutral" title="include command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -228,6 +372,15 @@ reported.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="jump.html" class="btn btn-neutral float-right" title="jump command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="include.html" class="btn btn-neutral" title="include command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/jump.html b/doc/html/jump.html
index 8b2f4578a48b6c3f38fcbb8d8dbf035f29b81c34..90d5b2612ebd66d3df9a7fc245dd657656eda442 100644
--- a/doc/html/jump.html
+++ b/doc/html/jump.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="kspace_modify command" href="kspace_modify.html"/>
+ <link rel="prev" title="info command" href="info.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">jump command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>jump command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="kspace_modify.html" class="btn btn-neutral float-right" title="kspace_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="info.html" class="btn btn-neutral" title="info command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -259,6 +402,15 @@ LAMMPS will come to the end of the file and exit.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="kspace_modify.html" class="btn btn-neutral float-right" title="kspace_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="info.html" class="btn btn-neutral" title="info command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/kspace_modify.html b/doc/html/kspace_modify.html
index 2019d48cff0a09bc39ef2eab11d71dee3c7c2557..7dffb2343ea24d0952079d5befd7e65fe643d185 100644
--- a/doc/html/kspace_modify.html
+++ b/doc/html/kspace_modify.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="kspace_style command" href="kspace_style.html"/>
+ <link rel="prev" title="jump command" href="jump.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">kspace_modify command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>kspace_modify command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="kspace_style.html" class="btn btn-neutral float-right" title="kspace_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="jump.html" class="btn btn-neutral" title="jump command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,9 +275,8 @@
<pre class="literal-block">
kspace_modify keyword value ...
</pre>
-<ul class="simple">
-<li>one or more keyword/value pairs may be listed</li>
-</ul>
+<ul>
+<li><p class="first">one or more keyword/value pairs may be listed</p>
<pre class="literal-block">
keyword = <em>mesh</em> or <em>order</em> or <em>order/disp</em> or <em>mix/disp</em> or <em>overlap</em> or <em>minorder</em> or <em>force</em> or <em>gewald</em> or <em>gewald/disp</em> or <em>slab</em> or (nozforce* or <em>compute</em> or <em>cutoff/adjust</em> or <em>fftbench</em> or <em>collective</em> or <em>diff</em> or <em>kmax/ewald</em> or <em>force/disp/real</em> or <em>force/disp/kspace</em> or <em>splittol</em> or <em>disp/auto</em>:l
<em>mesh</em> value = x y z
@@ -171,6 +314,8 @@ keyword = <em>mesh</em> or <em>order</em> or <em>order/disp</em> or <em>mix/disp
tol = relative size of two eigenvalues (see discussion below)
<em>disp/auto</em> value = yes or no
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -439,6 +584,15 @@ Chem Theory Comput, 9, 5412 (2013).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="kspace_style.html" class="btn btn-neutral float-right" title="kspace_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="jump.html" class="btn btn-neutral" title="jump command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/kspace_style.html b/doc/html/kspace_style.html
index 5cecc5b41d6fd1a5429840b68fa9a6777b0c33c8..772ea9fb04bea196529173f3c3b8317677f98873 100644
--- a/doc/html/kspace_style.html
+++ b/doc/html/kspace_style.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="label command" href="label.html"/>
+ <link rel="prev" title="kspace_modify command" href="kspace_modify.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">kspace_style command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>kspace_style command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="label.html" class="btn btn-neutral float-right" title="label command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="kspace_modify.html" class="btn btn-neutral" title="kspace_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,9 +275,8 @@
<pre class="literal-block">
kspace_style style value
</pre>
-<ul class="simple">
-<li>style = <em>none</em> or <em>ewald</em> or <em>ewald/disp</em> or <em>ewald/omp</em> or <em>pppm</em> or <em>pppm/cg</em> or <em>pppm/disp</em> or <em>pppm/tip4p</em> or <em>pppm/stagger</em> or <em>pppm/disp/tip4p</em> or <em>pppm/gpu</em> or <em>pppm/kk</em> or <em>pppm/omp</em> or <em>pppm/cg/omp</em> or <em>pppm/tip4p/omp</em> or <em>msm</em> or <em>msm/cg</em> or <em>msm/omp</em> or <em>msm/cg/omp</em></li>
-</ul>
+<ul>
+<li><p class="first">style = <em>none</em> or <em>ewald</em> or <em>ewald/disp</em> or <em>ewald/omp</em> or <em>pppm</em> or <em>pppm/cg</em> or <em>pppm/disp</em> or <em>pppm/tip4p</em> or <em>pppm/stagger</em> or <em>pppm/disp/tip4p</em> or <em>pppm/gpu</em> or <em>pppm/kk</em> or <em>pppm/omp</em> or <em>pppm/cg/omp</em> or <em>pppm/tip4p/omp</em> or <em>msm</em> or <em>msm/cg</em> or <em>msm/omp</em> or <em>msm/cg/omp</em></p>
<pre class="literal-block">
<em>none</em> value = none
<em>ewald</em> value = accuracy
@@ -176,6 +319,8 @@ kspace_style style value
accuracy = desired relative error in forces
smallq = cutoff for charges to be considered (optional) (charge units)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -271,7 +416,7 @@ However, for low relative accuracy, the staggered PPPM mesh size may
be essentially the same as for regular PPPM, which means the method
will be up to 2x slower in the KSpace time (simply 2x more expensive).
For more details and timings, see
-<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>.</p>
+<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>.</p>
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last">Using <em>pppm/stagger</em> may not give the same increase in the
@@ -374,7 +519,7 @@ relative RMS error.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -393,7 +538,7 @@ calculated on the CPU in non-threaded mode.</p>
<p>These accelerated styles are part of the GPU, USER-INTEL,
KOKKOS, USER-OMP, and OPT packages respectively. They are only
enabled if LAMMPS was built with those packages. See the <a class="reference internal" href="Section_start.html#start-3"><span class="std std-ref">Making LAMMPS</span></a> section for more info.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
</div>
<div class="section" id="restrictions">
@@ -457,6 +602,15 @@ Illinois at Urbana-Champaign, (2006).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="label.html" class="btn btn-neutral float-right" title="label command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="kspace_modify.html" class="btn btn-neutral" title="kspace_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/label.html b/doc/html/label.html
index f0b6685a0df6e2942e62dcd32ba8ab6a2bfcb72d..d7990b0750a0f17570d169f6471b0b7aae17bc18 100644
--- a/doc/html/label.html
+++ b/doc/html/label.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="lattice command" href="lattice.html"/>
+ <link rel="prev" title="kspace_style command" href="kspace_style.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,133 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">label command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +240,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>label command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +253,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="lattice.html" class="btn btn-neutral float-right" title="lattice command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="kspace_style.html" class="btn btn-neutral" title="kspace_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -166,6 +308,15 @@ script as discussed in the <a class="reference internal" href="jump.html"><span
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="lattice.html" class="btn btn-neutral float-right" title="lattice command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="kspace_style.html" class="btn btn-neutral" title="kspace_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/lattice.html b/doc/html/lattice.html
index 07d659915c06a3e28177e89dbc96c3990769b096..2443fd3d54da7b933e5145f0cb8d780903215980 100644
--- a/doc/html/lattice.html
+++ b/doc/html/lattice.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="log command" href="log.html"/>
+ <link rel="prev" title="label command" href="label.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">lattice command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>lattice command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="log.html" class="btn btn-neutral float-right" title="log command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="label.html" class="btn btn-neutral" title="label command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,18 +275,18 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">lattice</span> <span class="n">style</span> <span class="n">scale</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>style = <em>none</em> or <em>sc</em> or <em>bcc</em> or <em>fcc</em> or <em>hcp</em> or <em>diamond</em> or <em>sq</em> or <em>sq2</em> or <em>hex</em> or <em>custom</em></li>
-<li>scale = scale factor between lattice and simulation box</li>
-</ul>
+<ul>
+<li><p class="first">style = <em>none</em> or <em>sc</em> or <em>bcc</em> or <em>fcc</em> or <em>hcp</em> or <em>diamond</em> or <em>sq</em> or <em>sq2</em> or <em>hex</em> or <em>custom</em></p>
+</li>
+<li><p class="first">scale = scale factor between lattice and simulation box</p>
<pre class="literal-block">
scale = reduced density rho* (for LJ units)
scale = lattice constant in distance units (for all other units)
</pre>
-<ul class="simple">
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>origin</em> or <em>orient</em> or <em>spacing</em> or <em>a1</em> or <em>a2</em> or <em>a3</em> or <em>basis</em></li>
-</ul>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>origin</em> or <em>orient</em> or <em>spacing</em> or <em>a1</em> or <em>a2</em> or <em>a3</em> or <em>basis</em></p>
<pre class="literal-block">
<em>origin</em> values = x y z
x,y,z = fractions of a unit cell (0 <= x,y,z < 1)
@@ -156,6 +300,8 @@ scale = lattice constant in distance units (for all other units)
<em>basis</em> values = x y z
x,y,z = fractional coords of a basis atom (0 <= x,y,z < 1)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -412,6 +558,15 @@ a2 = 0 1 0, and a3 = 0 0 1.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="log.html" class="btn btn-neutral float-right" title="log command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="label.html" class="btn btn-neutral" title="label command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/log.html b/doc/html/log.html
index d0aedd79d7b7e511c99e304484e3315f5ac54ba6..e1e8f0fbfc50f6656ad187c7edea7ae20c176745 100644
--- a/doc/html/log.html
+++ b/doc/html/log.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="mass command" href="mass.html"/>
+ <link rel="prev" title="lattice command" href="lattice.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">log command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>log command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="mass.html" class="btn btn-neutral float-right" title="mass command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="lattice.html" class="btn btn-neutral" title="lattice command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -155,7 +298,7 @@ be a variable, so that different processors do not attempt to write to
the same log file.</p>
<p>The file “log.lammps” is the default log file for a LAMMPS run. The
name of the initial log file can also be set by the command-line
-switch -log. See <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">Section_start 6</span></a> for
+switch -log. See <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">Section 2.7</span></a> for
details.</p>
</div>
<div class="section" id="restrictions">
@@ -175,6 +318,15 @@ details.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="mass.html" class="btn btn-neutral float-right" title="mass command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="lattice.html" class="btn btn-neutral" title="lattice command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/manifolds.html b/doc/html/manifolds.html
index 5fec3a287f915ae9f1d111355d9d462b1d34ff25..667346655695b7b7ef72156f0285a371e4689f3f 100644
--- a/doc/html/manifolds.html
+++ b/doc/html/manifolds.html
@@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0">
- <title>Manifolds (surfacse) — LAMMPS documentation</title>
+ <title>Manifolds (surfaces) — LAMMPS documentation</title>
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Tutorials" href="tutorials.html"/>
+ <link rel="next" title="Commands" href="commands.html"/>
+ <link rel="prev" title="Body particles" href="body.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,24 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1 current"><a class="reference internal" href="tutorials.html">Tutorials</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="tutorial_drude.html">Tutorial for Thermalized Drude oscillators in LAMMPS</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tutorial_github.html">LAMMPS GitHub tutorial</a></li>
+<li class="toctree-l2"><a class="reference internal" href="body.html">Body particles</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">Manifolds (surfaces)</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,7 +131,9 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
- <li>Manifolds (surfacse)</li>
+ <li><a href="tutorials.html">Tutorials</a> »</li>
+
+ <li>Manifolds (surfaces)</li>
<li class="wy-breadcrumbs-aside">
@@ -120,12 +144,21 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="commands.html" class="btn btn-neutral float-right" title="Commands" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="body.html" class="btn btn-neutral" title="Body particles" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
- <div class="section" id="manifolds-surfacse">
-<h1>Manifolds (surfacse)</h1>
+ <div class="section" id="manifolds-surfaces">
+<h1>Manifolds (surfaces)</h1>
<p><strong>Overview:</strong></p>
<p>This doc page is not about a LAMMPS input script command, but about
manifolds, which are generalized surfaces, as defined and used by the
@@ -159,7 +192,7 @@ to the relevant fixes.</p>
</tr>
<tr class="row-odd"><td>cylinder_dent</td>
<td>R l a</td>
-<td>x^2 + y^2 - r(z)^2 = 0, r(x) = R if <a href="#id1"><span class="problematic" id="id2">|z|</span></a> > l, r(z) = R - a*(1 + cos(z/l))/2 otherwise</td>
+<td>x^2 + y^2 - r(z)^2 = 0, r(x) = R if | z | > l, r(z) = R - a*(1 + cos(z/l))/2 otherwise</td>
<td>A cylinder with a dent around z = 0</td>
<td> </td>
</tr>
@@ -195,7 +228,7 @@ to the relevant fixes.</p>
</tr>
<tr class="row-odd"><td>supersphere</td>
<td>R q</td>
-<td><a href="#id3"><span class="problematic" id="id4">|x|</span></a>^q + <a href="#id5"><span class="problematic" id="id6">|y|</span></a>^q + <a href="#id7"><span class="problematic" id="id8">|z|</span></a>^q - R^q = 0</td>
+<td>| x |^q + | y |^q + | z |^q - R^q = 0</td>
<td>A supersphere of hyperradius R</td>
<td> </td>
</tr>
@@ -213,7 +246,7 @@ to the relevant fixes.</p>
</tr>
<tr class="row-even"><td>thylakoid</td>
<td>wB LB lB</td>
-<td>Various, see <a class="reference internal" href="#paquay"><span class="std std-ref">(Paquay)</span></a></td>
+<td>Various, see <a class="reference internal" href="#paquay1"><span class="std std-ref">(Paquay)</span></a></td>
<td>A model grana thylakoid consisting of two block-like compartments connected by a bridge of width wB, length LB and taper length lB</td>
<td> </td>
</tr>
@@ -225,7 +258,7 @@ to the relevant fixes.</p>
</tr>
</tbody>
</table>
-<p id="paquay"><strong>(Paquay)</strong> Paquay and Kusters, Biophys. J., 110, ???, (2016), to be published,
+<p id="paquay1"><strong>(Paquay)</strong> Paquay and Kusters, Biophys. J., 110, 6, (2016).
preprint available at <a class="reference external" href="http://arxiv.org/abs/1411.3019/">arXiv:1411.3019</a>.</p>
</div>
@@ -234,6 +267,15 @@ preprint available at <a class="reference external" href="http://arxiv.org/abs/1
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="commands.html" class="btn btn-neutral float-right" title="Commands" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="body.html" class="btn btn-neutral" title="Body particles" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/mass.html b/doc/html/mass.html
index 45725432bf39525b112589938737792d10107549..87a5b3d4ac6cbc8f049b6646133a76bdeb51b6d3 100644
--- a/doc/html/mass.html
+++ b/doc/html/mass.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="min_modify command" href="min_modify.html"/>
+ <link rel="prev" title="log command" href="log.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,133 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">mass command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +240,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>mass command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +253,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="min_modify.html" class="btn btn-neutral float-right" title="min_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="log.html" class="btn btn-neutral" title="log command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -202,6 +344,15 @@ all be defined before a <a class="reference internal" href="velocity.html"><span
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="min_modify.html" class="btn btn-neutral float-right" title="min_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="log.html" class="btn btn-neutral" title="log command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/min_modify.html b/doc/html/min_modify.html
index bd9a1f285f0342f78d7fb6262700701bcc0af41a..4ef3c801f9414bb4e1d7c22fb054fa5829185b05 100644
--- a/doc/html/min_modify.html
+++ b/doc/html/min_modify.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="min_style command" href="min_style.html"/>
+ <link rel="prev" title="mass command" href="mass.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">min_modify command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>min_modify command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="min_style.html" class="btn btn-neutral float-right" title="min_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="mass.html" class="btn btn-neutral" title="mass command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,9 +275,8 @@
<pre class="literal-block">
min_modify keyword values ...
</pre>
-<ul class="simple">
-<li>one or more keyword/value pairs may be listed</li>
-</ul>
+<ul>
+<li><p class="first">one or more keyword/value pairs may be listed</p>
<pre class="literal-block">
keyword = <em>dmax</em> or <em>line</em>
<em>dmax</em> value = max
@@ -141,6 +284,8 @@ keyword = <em>dmax</em> or <em>line</em>
<em>line</em> value = <em>backtrack</em> or <em>quadratic</em> or <em>forcezero</em>
backtrack,quadratic,forcezero = style of linesearch to use
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -206,6 +351,15 @@ could move in the gradient direction to reduce forces further.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="min_style.html" class="btn btn-neutral float-right" title="min_style command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="mass.html" class="btn btn-neutral" title="mass command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/min_style.html b/doc/html/min_style.html
index c2c66e37b9445eb6a0ca972c0ded4a1f1105a5e3..fd364ff5ec93757d460ad6e1d74e1a92b665e9cc 100644
--- a/doc/html/min_style.html
+++ b/doc/html/min_style.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="minimize command" href="minimize.html"/>
+ <link rel="prev" title="min_modify command" href="min_modify.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">min_style command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>min_style command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="minimize.html" class="btn btn-neutral float-right" title="minimize command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="min_modify.html" class="btn btn-neutral" title="min_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -223,6 +367,15 @@ Jonsson, Mills, Jacobsen.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="minimize.html" class="btn btn-neutral float-right" title="minimize command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="min_modify.html" class="btn btn-neutral" title="min_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/minimize.html b/doc/html/minimize.html
index 8cc0884e121ede5def4506d6c8a8d26f584baf6f..26541ea0c207205c0503b3fa4a274f940036509a 100644
--- a/doc/html/minimize.html
+++ b/doc/html/minimize.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="molecule command" href="molecule.html"/>
+ <link rel="prev" title="min_style command" href="min_style.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">minimize command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>minimize command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="molecule.html" class="btn btn-neutral float-right" title="molecule command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="min_style.html" class="btn btn-neutral" title="min_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -370,6 +513,15 @@ system will not fully relax.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="molecule.html" class="btn btn-neutral float-right" title="molecule command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="min_style.html" class="btn btn-neutral" title="min_style command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/molecule.html b/doc/html/molecule.html
index 094f231291824761bb04c39e44fcb662f1471174..e82faf09fc9ae5a72198cf7fd29b3692ca30576e 100644
--- a/doc/html/molecule.html
+++ b/doc/html/molecule.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="neb command" href="neb.html"/>
+ <link rel="prev" title="minimize command" href="minimize.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">molecule command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>molecule command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="neb.html" class="btn btn-neutral float-right" title="neb command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="minimize.html" class="btn btn-neutral" title="minimize command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,12 +275,14 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">molecule</span> <span class="n">ID</span> <span class="n">file1</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span> <span class="n">file2</span> <span class="n">keyword</span> <span class="n">values</span> <span class="o">...</span> <span class="n">fileN</span> <span class="o">...</span>
</pre></div>
</div>
-<ul class="simple">
-<li>ID = user-assigned name for the molecule template</li>
-<li>file1,file2,... = names of files containing molecule descriptions</li>
-<li>zero or more keyword/value pairs may be appended after each file</li>
-<li>keyword = <em>offset</em> or <em>toff</em> or <em>boff</em> or <em>aoff</em> or <em>doff</em> or <em>ioff</em> or <em>scale</em></li>
-</ul>
+<ul>
+<li><p class="first">ID = user-assigned name for the molecule template</p>
+</li>
+<li><p class="first">file1,file2,... = names of files containing molecule descriptions</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended after each file</p>
+</li>
+<li><p class="first">keyword = <em>offset</em> or <em>toff</em> or <em>boff</em> or <em>aoff</em> or <em>doff</em> or <em>ioff</em> or <em>scale</em></p>
<pre class="literal-block">
<em>offset</em> values = Toff Boff Aoff Doff Ioff
Toff = offset to add to atom types
@@ -157,6 +303,8 @@
<em>scale</em> value = sfactor
sfactor = scale factor to apply to the size and mass of the molecule
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -546,6 +694,15 @@ of SHAKE clusters.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="neb.html" class="btn btn-neutral float-right" title="neb command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="minimize.html" class="btn btn-neutral" title="minimize command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/neb.html b/doc/html/neb.html
index d820af07c56abddf0504a4de025af588427fc647..613ac0e1f4f6fd8515fe6a29156ec564e6d656dc 100644
--- a/doc/html/neb.html
+++ b/doc/html/neb.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="neigh_modify command" href="neigh_modify.html"/>
+ <link rel="prev" title="molecule command" href="molecule.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">neb command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>neb command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="neigh_modify.html" class="btn btn-neutral float-right" title="neigh_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+ <a href="molecule.html" class="btn btn-neutral" title="molecule command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,14 +274,18 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">neb</span> <span class="n">etol</span> <span class="n">ftol</span> <span class="n">N1</span> <span class="n">N2</span> <span class="n">Nevery</span> <span class="n">file</span><span class="o">-</span><span class="n">style</span> <span class="n">arg</span>
</pre></div>
</div>
-<ul class="simple">
-<li>etol = stopping tolerance for energy (energy units)</li>
-<li>ftol = stopping tolerance for force (force units)</li>
-<li>N1 = max # of iterations (timesteps) to run initial NEB</li>
-<li>N2 = max # of iterations (timesteps) to run barrier-climbing NEB</li>
-<li>Nevery = print replica energies and reaction coordinates every this many timesteps</li>
-<li>file-style= <em>final</em> or <em>each</em> or <em>none</em></li>
-</ul>
+<ul>
+<li><p class="first">etol = stopping tolerance for energy (energy units)</p>
+</li>
+<li><p class="first">ftol = stopping tolerance for force (force units)</p>
+</li>
+<li><p class="first">N1 = max # of iterations (timesteps) to run initial NEB</p>
+</li>
+<li><p class="first">N2 = max # of iterations (timesteps) to run barrier-climbing NEB</p>
+</li>
+<li><p class="first">Nevery = print replica energies and reaction coordinates every this many timesteps</p>
+</li>
+<li><p class="first">file-style= <em>final</em> or <em>each</em> or <em>none</em></p>
<pre class="literal-block">
<em>final</em> arg = filename
filename = file with initial coords for final replica
@@ -148,6 +295,8 @@
<em>none</em> arg = no argument
all replicas assumed to already have their initial coords
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -166,11 +315,11 @@ and last are the end points of the transition path.</p>
of the energy barrier associated with a transition state, e.g. for an
atom to perform a diffusive hop from one energy basin to another in a
coordinated fashion with its neighbors. The implementation in LAMMPS
-follows the discussion in these 3 papers: <a class="reference internal" href="#henkelman1"><span class="std std-ref">(Henkelman1)</span></a>,
-<a class="reference internal" href="#henkelman2"><span class="std std-ref">(Henkelman2)</span></a>, and <a class="reference internal" href="#nakano"><span class="std std-ref">(Nakano)</span></a>.</p>
+follows the discussion in these 3 papers: <a class="reference internal" href="#henkelmana"><span class="std std-ref">(HenkelmanA)</span></a>,
+<a class="reference internal" href="#henkelmanb"><span class="std std-ref">(HenkelmanB)</span></a>, and <a class="reference internal" href="#nakano"><span class="std std-ref">(Nakano)</span></a>.</p>
<p>Each replica runs on a partition of one or more processors. Processor
partitions are defined at run-time using the -partition command-line
-switch; see <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">Section_start 7</span></a> of the
+switch; see <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">Section 2.7</span></a> of the
manual. Note that if you have MPI installed, you can run a
multi-replica simulation with more replicas (partitions) than you have
physical processors, e.g you can run a 10-replica simulation on just
@@ -346,7 +495,7 @@ due to the inter-replica spring force added by the <a class="reference internal"
is selected and the inter-replica forces on it are converted to a
force that drives its atom coordinates to the top or saddle point of
the barrier, via the barrier-climbing calculation described in
-<a class="reference internal" href="#henkelman2"><span class="std std-ref">(Henkelman2)</span></a>. As before, the other replicas rearrange
+<a class="reference internal" href="#henkelmanb"><span class="std std-ref">(HenkelmanB)</span></a>. As before, the other replicas rearrange
themselves along the MEP so as to be roughly equally spaced.</p>
<p>When both stages are complete, if the NEB calculation was successful,
one of the replicas should be an atomic configuration at the top or
@@ -412,12 +561,10 @@ and restart files.</p>
this case), the print-out to the screen and master log.lammps file
contains a line of output, printed once every <em>Nevery</em> timesteps. It
contains the timestep, the maximum force per replica, the maximum
-force per atom (in any replica), potential gradients in the initial,</p>
-<blockquote>
-<div>final, and climbing replicas,</div></blockquote>
-<p>the forward and backward energy barriers,
-the total reaction coordinate (RDT), and
-the normalized reaction coordinate and potential energy of each replica.</p>
+force per atom (in any replica), potential gradients in the initial,
+final, and climbing replicas, the forward and backward energy barriers,
+the total reaction coordinate (RDT), and the normalized reaction
+coordinate and potential energy of each replica.</p>
<p>The “maximum force per replica” is
the two-norm of the 3N-length force vector for the atoms in each
replica, maximized across replicas, which is what the <em>ftol</em> setting
@@ -512,8 +659,8 @@ for more info on packages.</p>
<p><a class="reference internal" href="prd.html"><span class="doc">prd</span></a>, <a class="reference internal" href="temper.html"><span class="doc">temper</span></a>, <a class="reference internal" href="fix_langevin.html"><span class="doc">fix langevin</span></a>, <a class="reference internal" href="fix_viscous.html"><span class="doc">fix viscous</span></a></p>
<p><strong>Default:</strong> none</p>
<hr class="docutils" />
-<p id="henkelman1"><strong>(Henkelman1)</strong> Henkelman and Jonsson, J Chem Phys, 113, 9978-9985 (2000).</p>
-<p id="henkelman2"><strong>(Henkelman2)</strong> Henkelman, Uberuaga, Jonsson, J Chem Phys, 113,
+<p id="henkelmana"><strong>(HenkelmanA)</strong> Henkelman and Jonsson, J Chem Phys, 113, 9978-9985 (2000).</p>
+<p id="henkelmanb"><strong>(HenkelmanB)</strong> Henkelman, Uberuaga, Jonsson, J Chem Phys, 113,
9901-9904 (2000).</p>
<p id="nakano"><strong>(Nakano)</strong> Nakano, Comp Phys Comm, 178, 280-289 (2008).</p>
</div>
@@ -524,6 +671,15 @@ for more info on packages.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="neigh_modify.html" class="btn btn-neutral float-right" title="neigh_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+
+ </div>
+
<hr/>
diff --git a/doc/html/neigh_modify.html b/doc/html/neigh_modify.html
index 991e8aaf9b2cc394583b8fcadabb138b10520ea4..836318d0821580443843fa2c18848c60af8aed9a 100644
--- a/doc/html/neigh_modify.html
+++ b/doc/html/neigh_modify.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="neighbor command" href="neighbor.html"/>
+ <link rel="prev" title="neb command" href="neb.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">neigh_modify command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>neigh_modify command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="neighbor.html" class="btn btn-neutral float-right" title="neighbor command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="neb.html" class="btn btn-neutral" title="neb command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,9 +275,8 @@
<pre class="literal-block">
neigh_modify keyword values ...
</pre>
-<ul class="simple">
-<li>one or more keyword/value pairs may be listed</li>
-</ul>
+<ul>
+<li><p class="first">one or more keyword/value pairs may be listed</p>
<pre class="literal-block">
keyword = <em>delay</em> or <em>every</em> or <em>check</em> or <em>once</em> or <em>cluster</em> or <em>include</em> or <em>exclude</em> or <em>page</em> or <em>one</em> or <em>binsize</em>
<em>delay</em> value = N
@@ -167,6 +310,8 @@ keyword = <em>delay</em> or <em>every</em> or <em>check</em> or <em>once</em> or
<em>binsize</em> value = size
size = bin size for neighbor list construction (distance units)
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -329,6 +474,15 @@ cluster = no, include = all, exclude = none, page = 100000, one =
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="neighbor.html" class="btn btn-neutral float-right" title="neighbor command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="neb.html" class="btn btn-neutral" title="neb command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/neighbor.html b/doc/html/neighbor.html
index 65a47dfcc18665e687003f581a2fb21272dc3116..8236a4369265b8ca2192d67a4b688718e4a0dc42 100644
--- a/doc/html/neighbor.html
+++ b/doc/html/neighbor.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="newton command" href="newton.html"/>
+ <link rel="prev" title="neigh_modify command" href="neigh_modify.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">neighbor command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>neighbor command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="newton.html" class="btn btn-neutral float-right" title="newton command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="neigh_modify.html" class="btn btn-neutral" title="neigh_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -211,6 +355,15 @@ are printed to the screen and log file. See <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="newton.html" class="btn btn-neutral float-right" title="newton command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="neigh_modify.html" class="btn btn-neutral" title="neigh_modify command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/newton.html b/doc/html/newton.html
index f9bd0db138d4a4618a5614458ca851fd7e1db9a1..a65716d01dd5cc23c61a6ef53783e79117ba202c 100644
--- a/doc/html/newton.html
+++ b/doc/html/newton.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="next command" href="next.html"/>
+ <link rel="prev" title="neighbor command" href="neighbor.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">newton command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>newton command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="next.html" class="btn btn-neutral float-right" title="next command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="neighbor.html" class="btn btn-neutral" title="neighbor command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -190,6 +334,15 @@ defined by a <a class="reference internal" href="read_data.html"><span class="do
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="next.html" class="btn btn-neutral float-right" title="next command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="neighbor.html" class="btn btn-neutral" title="neighbor command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/next.html b/doc/html/next.html
index e8b2338450c3fb5350740f8525fc0ac296919db6..360829844d63f0107d79241fc9e97e3870cab4bb 100644
--- a/doc/html/next.html
+++ b/doc/html/next.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="package command" href="package.html"/>
+ <link rel="prev" title="newton command" href="newton.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">next command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>next command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="package.html" class="btn btn-neutral float-right" title="package command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="newton.html" class="btn btn-neutral" title="newton command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -265,6 +408,15 @@ variable b delete
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="package.html" class="btn btn-neutral float-right" title="package command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="newton.html" class="btn btn-neutral" title="newton command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/package.html b/doc/html/package.html
index 7146faef4d66491ffb51216c514ab814dcda4ba7..962913da17aad2d53f006fbac1082a402be21821 100644
--- a/doc/html/package.html
+++ b/doc/html/package.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="pair_coeff command" href="pair_coeff.html"/>
+ <link rel="prev" title="next command" href="next.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,135 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">package command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +242,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>package command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +255,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_coeff.html" class="btn btn-neutral float-right" title="pair_coeff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="next.html" class="btn btn-neutral" title="next command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,10 +275,10 @@
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">package</span> <span class="n">style</span> <span class="n">args</span>
</pre></div>
</div>
-<ul class="simple">
-<li>style = <em>gpu</em> or <em>intel</em> or <em>kokkos</em> or <em>omp</em></li>
-<li>args = arguments specific to the style</li>
-</ul>
+<ul>
+<li><p class="first">style = <em>gpu</em> or <em>intel</em> or <em>kokkos</em> or <em>omp</em></p>
+</li>
+<li><p class="first">args = arguments specific to the style</p>
<pre class="literal-block">
<em>gpu</em> args = Ngpu keyword value ...
Ngpu = # of GPUs per node
@@ -210,6 +354,8 @@
yes = threaded neighbor list build (default)
no = non-threaded neighbor list build
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -654,6 +800,15 @@ your input script or via the “-pk omp” <a class="reference internal"
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_coeff.html" class="btn btn-neutral float-right" title="pair_coeff command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="next.html" class="btn btn-neutral" title="next command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_adp.html b/doc/html/pair_adp.html
index 5bc88ab7d078ecc24db398abbb63c532576446a5..878145210e2db8410fd7706ba280b3b90aabbead 100644
--- a/doc/html/pair_adp.html
+++ b/doc/html/pair_adp.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style airebo command" href="pair_airebo.html"/>
+ <link rel="prev" title="Pair Styles" href="pairs.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-adp-omp-command">pair_style adp/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style adp command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_airebo.html" class="btn btn-neutral float-right" title="pair_style airebo command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pairs.html" class="btn btn-neutral" title="Pair Styles" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -235,7 +632,7 @@ array tabulated with a scaling by r.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -245,7 +642,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
@@ -283,6 +680,15 @@ if LAMMPS was built with that package (which it is by default).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_airebo.html" class="btn btn-neutral float-right" title="pair_style airebo command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pairs.html" class="btn btn-neutral" title="Pair Styles" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_airebo.html b/doc/html/pair_airebo.html
index 682756807374bae2c9f84336d896dfb1fc9185d3..002759a085fd9a0d7c7314edf236f24fb0361ba0 100644
--- a/doc/html/pair_airebo.html
+++ b/doc/html/pair_airebo.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style awpmd/cut command" href="pair_awpmd.html"/>
+ <link rel="prev" title="pair_style adp command" href="pair_adp.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-rebo-omp-command">pair_style rebo/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style airebo command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_awpmd.html" class="btn btn-neutral float-right" title="pair_style awpmd/cut command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_adp.html" class="btn btn-neutral" title="pair_style adp command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -284,7 +681,7 @@ thermo_style custom step temp epair v_REBO v_LJ v_TORSION
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -294,7 +691,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
@@ -340,6 +737,15 @@ Physics: Condensed Matter, 14, 783-802 (2002).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_awpmd.html" class="btn btn-neutral float-right" title="pair_style awpmd/cut command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_adp.html" class="btn btn-neutral" title="pair_style adp command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_awpmd.html b/doc/html/pair_awpmd.html
index 4b2dc24da37e7aedc615c0b23573e2eb6366990e..b1142aa5fc6ddf33bb5be04da8b9830b9a7cd642 100644
--- a/doc/html/pair_awpmd.html
+++ b/doc/html/pair_awpmd.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style beck command" href="pair_beck.html"/>
+ <link rel="prev" title="pair_style airebo command" href="pair_airebo.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,389 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style awpmd/cut command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +496,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style awpmd/cut command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +509,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_beck.html" class="btn btn-neutral float-right" title="pair_style beck command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+
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+
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<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -131,11 +529,12 @@
<pre class="literal-block">
pair_style awpmd/cut Rc keyword value ...
</pre>
-<ul class="simple">
-<li>Rc = global cutoff, -1 means cutoff of half the shortest box length</li>
-<li>zero or more keyword/value pairs may be appended</li>
-<li>keyword = <em>hartree</em> or <em>dproduct</em> or <em>uhf</em> or <em>free</em> or <em>pbc</em> or <em>fix</em> or <em>harm</em> or <em>ermscale</em> or <em>flex_press</em></li>
-</ul>
+<ul>
+<li><p class="first">Rc = global cutoff, -1 means cutoff of half the shortest box length</p>
+</li>
+<li><p class="first">zero or more keyword/value pairs may be appended</p>
+</li>
+<li><p class="first">keyword = <em>hartree</em> or <em>dproduct</em> or <em>uhf</em> or <em>free</em> or <em>pbc</em> or <em>fix</em> or <em>harm</em> or <em>ermscale</em> or <em>flex_press</em></p>
<pre class="literal-block">
<em>hartree</em> value = none
<em>dproduct</em> value = none
@@ -151,6 +550,8 @@ pair_style awpmd/cut Rc keyword value ...
factor = scaling between electron mass and width variable mass
<em>flex_press</em> value = none
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -237,6 +638,15 @@ initial wavefunction, <em>free</em> for the wavepacket width.</p>
</div>
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diff --git a/doc/html/pair_beck.html b/doc/html/pair_beck.html
index baf69eecfa230c89cfac30ec004ef855101dc6e6..2531dd4936aea05cdc68db2a693f2a34ec299919 100644
--- a/doc/html/pair_beck.html
+++ b/doc/html/pair_beck.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style body command" href="pair_body.html"/>
+ <link rel="prev" title="pair_style awpmd/cut command" href="pair_awpmd.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-beck-omp-command">pair_style beck/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style beck command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_body.html" class="btn btn-neutral float-right" title="pair_style body command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_awpmd.html" class="btn btn-neutral" title="pair_style awpmd/cut command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -174,7 +571,7 @@ Rc is used.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -184,7 +581,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
@@ -222,6 +619,15 @@ to be specified in an input script that reads a restart file.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_body.html" class="btn btn-neutral float-right" title="pair_style body command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_awpmd.html" class="btn btn-neutral" title="pair_style awpmd/cut command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_body.html b/doc/html/pair_body.html
index 5f623fb0b7189ac383a44d081b73e7d1f29011a1..84d8399b0e495db963a8f3feda4ec70d1f69ef0f 100644
--- a/doc/html/pair_body.html
+++ b/doc/html/pair_body.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style bop command" href="pair_bop.html"/>
+ <link rel="prev" title="pair_style beck command" href="pair_beck.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style body command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style body command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_bop.html" class="btn btn-neutral float-right" title="pair_style bop command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_beck.html" class="btn btn-neutral" title="pair_style beck command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -145,7 +542,7 @@ pair_coeff 1 1 1.0 1.5 2.5
<h2>Description</h2>
<p>Style <em>body</em> is for use with body particles and calculates pairwise
body/body interactions as well as interactions between body and
-point-particles. See <a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section_howto 14</span></a>
+point-particles. See <a class="reference internal" href="Section_howto.html#howto-14"><span class="std std-ref">Section 6.14</span></a>
of the manual and the <a class="reference internal" href="body.html"><span class="doc">body</span></a> doc page for more details on
using body particles.</p>
<p>This pair style is designed for use with the “nparticle” body style,
@@ -228,6 +625,15 @@ body/particle interactions requires the use of the <a class="reference internal"
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_bop.html" class="btn btn-neutral float-right" title="pair_style bop command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_beck.html" class="btn btn-neutral" title="pair_style beck command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_bop.html b/doc/html/pair_bop.html
index f3b0785cd07f2d929a029e00eeec1803d41d9b33..6a70de4e5195ea33ae1c3cfe64bb78ec70ea6e01 100644
--- a/doc/html/pair_bop.html
+++ b/doc/html/pair_bop.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style born command" href="pair_born.html"/>
+ <link rel="prev" title="pair_style body command" href="pair_body.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,389 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style bop command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +496,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style bop command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +509,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_born.html" class="btn btn-neutral float-right" title="pair_style born command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+ <a href="pair_body.html" class="btn btn-neutral" title="pair_style body command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -502,6 +900,15 @@ Zimmerman, Phys. Rev. B, 85,115206 (2012).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_born.html" class="btn btn-neutral float-right" title="pair_style born command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_body.html" class="btn btn-neutral" title="pair_style body command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_born.html b/doc/html/pair_born.html
index c73ca9761f909ab9ca8e1ca32bef85e6b1311971..f9f072a6fbfeba8fce1b87177485081462978ead 100644
--- a/doc/html/pair_born.html
+++ b/doc/html/pair_born.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style brownian command" href="pair_brownian.html"/>
+ <link rel="prev" title="pair_style bop command" href="pair_bop.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style born command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_brownian.html" class="btn btn-neutral float-right" title="pair_style brownian command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_bop.html" class="btn btn-neutral" title="pair_style bop command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -261,7 +658,7 @@ same global Coulombic cutoff specified in the pair_style command.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -271,7 +668,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
@@ -314,6 +711,15 @@ Fumi and Tosi, J Phys Chem Solids, 25, 45 (1964).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_brownian.html" class="btn btn-neutral float-right" title="pair_style brownian command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_bop.html" class="btn btn-neutral" title="pair_style bop command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_brownian.html b/doc/html/pair_brownian.html
index 777cb46f10ae5cc62d41d6b1c43eca60cf0f59f5..8283e64e49bac59517a3cdfb19e5e97265f86bed 100644
--- a/doc/html/pair_brownian.html
+++ b/doc/html/pair_brownian.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style buck command" href="pair_buck.html"/>
+ <link rel="prev" title="pair_style born command" href="pair_born.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,389 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +496,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style brownian command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +509,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_buck.html" class="btn btn-neutral float-right" title="pair_style buck command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+ <a href="pair_born.html" class="btn btn-neutral" title="pair_style born command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -248,6 +646,15 @@ brownian.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_buck.html" class="btn btn-neutral float-right" title="pair_style buck command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+ <a href="pair_born.html" class="btn btn-neutral" title="pair_style born command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_buck.html b/doc/html/pair_buck.html
index fa537931bf71d30ac9011d801d3bbece99986b65..00ac3f08d11e905e62e2486fdbb2a1534eda3a8f 100644
--- a/doc/html/pair_buck.html
+++ b/doc/html/pair_buck.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style buck/long/coul/long command" href="pair_buck_long.html"/>
+ <link rel="prev" title="pair_style brownian command" href="pair_brownian.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style buck command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_buck_long.html" class="btn btn-neutral float-right" title="pair_style buck/long/coul/long command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_brownian.html" class="btn btn-neutral" title="pair_style brownian command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -289,7 +686,7 @@ pair_style command.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -299,7 +696,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
@@ -338,6 +735,15 @@ for more info.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_buck_long.html" class="btn btn-neutral float-right" title="pair_style buck/long/coul/long command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_brownian.html" class="btn btn-neutral" title="pair_style brownian command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_buck_long.html b/doc/html/pair_buck_long.html
index 82fc5d564150c970e0a69690826d6ecadd6a437c..fd690f82d678ca1e2b70be1415ec205da67a4cdd 100644
--- a/doc/html/pair_buck_long.html
+++ b/doc/html/pair_buck_long.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style lj/charmm/coul/charmm command" href="pair_charmm.html"/>
+ <link rel="prev" title="pair_style buck command" href="pair_buck.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style buck/long/coul/long command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_charmm.html" class="btn btn-neutral float-right" title="pair_style lj/charmm/coul/charmm command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_buck.html" class="btn btn-neutral" title="pair_style buck command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -134,23 +531,23 @@
<pre class="literal-block">
pair_style buck/long/coul/long flag_buck flag_coul cutoff (cutoff2)
</pre>
-<ul class="simple">
-<li>flag_buck = <em>long</em> or <em>cut</em></li>
-</ul>
+<ul>
+<li><p class="first">flag_buck = <em>long</em> or <em>cut</em></p>
<pre class="literal-block">
<em>long</em> = use Kspace long-range summation for the dispersion term 1/r^6
<em>cut</em> = use a cutoff
</pre>
-<ul class="simple">
-<li>flag_coul = <em>long</em> or <em>off</em></li>
-</ul>
+</li>
+<li><p class="first">flag_coul = <em>long</em> or <em>off</em></p>
<pre class="literal-block">
<em>long</em> = use Kspace long-range summation for the Coulombic term 1/r
<em>off</em> = omit the Coulombic term
</pre>
-<ul class="simple">
-<li>cutoff = global cutoff for Buckingham (and Coulombic if only 1 cutoff) (distance units)</li>
-<li>cutoff2 = global cutoff for Coulombic (optional) (distance units)</li>
+</li>
+<li><p class="first">cutoff = global cutoff for Buckingham (and Coulombic if only 1 cutoff) (distance units)</p>
+</li>
+<li><p class="first">cutoff2 = global cutoff for Coulombic (optional) (distance units)</p>
+</li>
</ul>
</div>
<div class="section" id="examples">
@@ -176,7 +573,7 @@ and Coulombic terms respectively.</p>
<p>The purpose of this pair style is to capture long-range interactions
resulting from both attractive 1/r^6 Buckingham and Coulombic 1/r
interactions. This is done by use of the <em>flag_buck</em> and <em>flag_coul</em>
-settings. The “<a class="reference internal" href="#ismail"><span class="std std-ref">Ismail</span></a> paper has more details on when it is
+settings. The <a class="reference internal" href="#ismail"><span class="std std-ref">Ismail</span></a> paper has more details on when it is
appropriate to include long-range 1/r^6 interactions, using this
potential.</p>
<p>If <em>flag_buck</em> is set to <em>long</em>, no cutoff is used on the Buckingham
@@ -223,7 +620,7 @@ global Coulombic cutoff is allowed.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -233,7 +630,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
@@ -278,6 +675,15 @@ the KSPACE package is installed by default.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_charmm.html" class="btn btn-neutral float-right" title="pair_style lj/charmm/coul/charmm command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_buck.html" class="btn btn-neutral" title="pair_style buck command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_charmm.html b/doc/html/pair_charmm.html
index 93e44709ce6ee1fdba6bea4eed6ca5d7ec22a778..93587b94075fb2d228b835979ac0608cb5a30855 100644
--- a/doc/html/pair_charmm.html
+++ b/doc/html/pair_charmm.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style lj/class2 command" href="pair_class2.html"/>
+ <link rel="prev" title="pair_style buck/long/coul/long command" href="pair_buck_long.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style lj/charmm/coul/charmm command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_class2.html" class="btn btn-neutral float-right" title="pair_style lj/class2 command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_buck_long.html" class="btn btn-neutral" title="pair_style buck/long/coul/long command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -260,7 +657,7 @@ the pair_style command.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -270,7 +667,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
@@ -322,6 +719,15 @@ Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_class2.html" class="btn btn-neutral float-right" title="pair_style lj/class2 command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_buck_long.html" class="btn btn-neutral" title="pair_style buck/long/coul/long command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_class2.html b/doc/html/pair_class2.html
index a2dee8a4428f2da756fbd505b724a15acf46fe47..3eb89fbb190a7300458bcc5b7bfeec497f300701 100644
--- a/doc/html/pair_class2.html
+++ b/doc/html/pair_class2.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style colloid command" href="pair_colloid.html"/>
+ <link rel="prev" title="pair_style lj/charmm/coul/charmm command" href="pair_charmm.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style lj/class2 command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_colloid.html" class="btn btn-neutral float-right" title="pair_style colloid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_charmm.html" class="btn btn-neutral" title="pair_style lj/charmm/coul/charmm command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -238,7 +635,7 @@ cutoff distance.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -248,7 +645,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
@@ -293,6 +690,15 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_colloid.html" class="btn btn-neutral float-right" title="pair_style colloid command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_charmm.html" class="btn btn-neutral" title="pair_style lj/charmm/coul/charmm command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_coeff.html b/doc/html/pair_coeff.html
index c5bb770a91bde864592736969c680d74a2cacbbc..b9843d8380b10f0c991dd6424e9b36ed08e95e28 100644
--- a/doc/html/pair_coeff.html
+++ b/doc/html/pair_coeff.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Commands" href="commands.html"/>
+ <link rel="next" title="pair_modify command" href="pair_modify.html"/>
+ <link rel="prev" title="package command" href="package.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,134 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="commands.html">Commands</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_h5md.html">dump h5md command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html">dump image command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_coeff command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +241,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="commands.html">Commands</a> »</li>
+
<li>pair_coeff command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +254,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_modify.html" class="btn btn-neutral float-right" title="pair_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="package.html" class="btn btn-neutral" title="package command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -263,6 +406,15 @@ section of <a class="reference internal" href="Section_commands.html#cmd-5"><spa
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_modify.html" class="btn btn-neutral float-right" title="pair_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="package.html" class="btn btn-neutral" title="package command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_colloid.html b/doc/html/pair_colloid.html
index a1520bc7307ac9a9be5ba860d9a04b95a2545599..0bb497a1697eea723cf1dd45b7e23292bc79d648 100644
--- a/doc/html/pair_colloid.html
+++ b/doc/html/pair_colloid.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style comb command" href="pair_comb.html"/>
+ <link rel="prev" title="pair_style lj/class2 command" href="pair_class2.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-colloid-omp-command">pair_style colloid/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style colloid command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_comb.html" class="btn btn-neutral float-right" title="pair_style comb command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_class2.html" class="btn btn-neutral" title="pair_style lj/class2 command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -239,7 +636,7 @@ commands for efficiency: <a class="reference internal" href="neighbor.html"><spa
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -249,7 +646,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
@@ -300,6 +697,15 @@ only per-type polydispersity is enabled via the pair_coeff parameters.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_comb.html" class="btn btn-neutral float-right" title="pair_style comb command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_class2.html" class="btn btn-neutral" title="pair_style lj/class2 command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_comb.html b/doc/html/pair_comb.html
index c0768ee36aa241b55ac58cdf476ebb995d0183a4..a9453c14b03d96a9934392afebc9760062a1b528 100644
--- a/doc/html/pair_comb.html
+++ b/doc/html/pair_comb.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style coul/cut command" href="pair_coul.html"/>
+ <link rel="prev" title="pair_style colloid command" href="pair_colloid.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-comb3-command">pair_style comb3 command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style comb command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_coul.html" class="btn btn-neutral float-right" title="pair_style coul/cut command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_colloid.html" class="btn btn-neutral" title="pair_style colloid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -230,7 +627,7 @@ nor file <em>ffield.comb3</em> with style <em>comb</em>.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -240,7 +637,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
@@ -292,6 +689,15 @@ Y. Li, Z. Lu, S. R. Phillpot, and S. B. Sinnott, Mat. Sci. & Eng: R 74,
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_coul.html" class="btn btn-neutral float-right" title="pair_style coul/cut command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_colloid.html" class="btn btn-neutral" title="pair_style colloid command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_coul.html b/doc/html/pair_coul.html
index 98cba31724cc039a9cf70dc0a64dd6a0d88bd0dd..99a956865cf25e8f88b03b21b2af9f60b25f7857 100644
--- a/doc/html/pair_coul.html
+++ b/doc/html/pair_coul.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style coul/diel command" href="pair_coul_diel.html"/>
+ <link rel="prev" title="pair_style comb command" href="pair_comb.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style coul/cut command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_coul_diel.html" class="btn btn-neutral float-right" title="pair_style coul/diel command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_comb.html" class="btn btn-neutral" title="pair_style comb command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -415,7 +812,7 @@ command.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -425,7 +822,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
@@ -473,6 +870,15 @@ Phys, 110, 8254 (1999).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_coul_diel.html" class="btn btn-neutral float-right" title="pair_style coul/diel command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_comb.html" class="btn btn-neutral" title="pair_style comb command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_coul_diel.html b/doc/html/pair_coul_diel.html
index 88e078dfd5dab5b2d177bcee795716dc647e6e15..c947f434ba35cb042821fb6c3d1349f35540aebd 100644
--- a/doc/html/pair_coul_diel.html
+++ b/doc/html/pair_coul_diel.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style born/coul/long/cs command" href="pair_cs.html"/>
+ <link rel="prev" title="pair_style coul/cut command" href="pair_coul.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style coul/diel command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_cs.html" class="btn btn-neutral float-right" title="pair_style born/coul/long/cs command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_coul.html" class="btn btn-neutral" title="pair_style coul/cut command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -220,6 +617,15 @@ if LAMMPS was built with that package. See the <a class="reference internal" hr
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_cs.html" class="btn btn-neutral float-right" title="pair_style born/coul/long/cs command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
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+ <a href="pair_coul.html" class="btn btn-neutral" title="pair_style coul/cut command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_cs.html b/doc/html/pair_cs.html
index 12d0c515effea3f05ac9ed49697529c3350f373e..c36317873d59681c8fdb0dedd0df4da7b48b2144 100644
--- a/doc/html/pair_cs.html
+++ b/doc/html/pair_cs.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style lj/cut/dipole/cut command" href="pair_dipole.html"/>
+ <link rel="prev" title="pair_style coul/diel command" href="pair_coul_diel.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style born/coul/long/cs command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_dipole.html" class="btn btn-neutral float-right" title="pair_style lj/cut/dipole/cut command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_coul_diel.html" class="btn btn-neutral" title="pair_style coul/diel command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -164,7 +561,7 @@ pair_coeff 1 1 100.0 1.5 200.0 9.0
<h2>Description</h2>
<p>These pair styles are designed to be used with the adiabatic
core/shell model of <a class="reference internal" href="#mitchellfinchham"><span class="std std-ref">(Mitchell and Finchham)</span></a>. See
-<a class="reference internal" href="Section_howto.html#howto-25"><span class="std std-ref">Section_howto 25</span></a> of the manual for an
+<a class="reference internal" href="Section_howto.html#howto-25"><span class="std std-ref">Section 6.25</span></a> of the manual for an
overview of the model as implemented in LAMMPS.</p>
<p>These pair styles are identical to the <a class="reference internal" href="pair_born.html"><span class="doc">pair_style born/coul/long</span></a> and <a class="reference internal" href="pair_buck.html"><span class="doc">pair_style buck/coul/long</span></a> styles, except they correctly treat the
special case where the distance between two charged core and shell
@@ -206,6 +603,15 @@ enabled if LAMMPS was built with that package. See the <a class="reference inte
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_dipole.html" class="btn btn-neutral float-right" title="pair_style lj/cut/dipole/cut command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_coul_diel.html" class="btn btn-neutral" title="pair_style coul/diel command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_dipole.html b/doc/html/pair_dipole.html
index 6b903c7a92ec2f6b37480ea773194f6168e39247..516bcb96b7435e7ef85365f1bd81da1663d509e4 100644
--- a/doc/html/pair_dipole.html
+++ b/doc/html/pair_dipole.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style dpd command" href="pair_dpd.html"/>
+ <link rel="prev" title="pair_style born/coul/long/cs command" href="pair_cs.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style lj/cut/dipole/cut command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_dpd.html" class="btn btn-neutral float-right" title="pair_style dpd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_cs.html" class="btn btn-neutral" title="pair_style born/coul/long/cs command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -155,23 +552,25 @@ pair_style lj/sf/dipole/sf cutoff (cutoff2)
pair_style lj/cut/dipole/long cutoff (cutoff2)
pair_style lj/long/dipole/long flag_lj flag_coul cutoff (cutoff2)
</pre>
-<ul class="simple">
-<li>cutoff = global cutoff LJ (and Coulombic if only 1 arg) (distance units)</li>
-<li>cutoff2 = global cutoff for Coulombic and dipole (optional) (distance units)</li>
-<li>flag_lj = <em>long</em> or <em>cut</em> or <em>off</em></li>
-</ul>
+<ul>
+<li><p class="first">cutoff = global cutoff LJ (and Coulombic if only 1 arg) (distance units)</p>
+</li>
+<li><p class="first">cutoff2 = global cutoff for Coulombic and dipole (optional) (distance units)</p>
+</li>
+<li><p class="first">flag_lj = <em>long</em> or <em>cut</em> or <em>off</em></p>
<pre class="literal-block">
<em>long</em> = use long-range damping on dispersion 1/r^6 term
<em>cut</em> = use a cutoff on dispersion 1/r^6 term
<em>off</em> = omit disperion 1/r^6 term entirely
</pre>
-<ul class="simple">
-<li>flag_coul = <em>long</em> or <em>off</em></li>
-</ul>
+</li>
+<li><p class="first">flag_coul = <em>long</em> or <em>off</em></p>
<pre class="literal-block">
<em>long</em> = use long-range damping on Coulombic 1/r and point-dipole terms
<em>off</em> = omit Coulombic and point-dipole terms entirely
</pre>
+</li>
+</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
@@ -302,7 +701,7 @@ type pair.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -312,7 +711,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
@@ -368,6 +767,15 @@ Clarendon Press, Oxford, 1987.</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_dpd.html" class="btn btn-neutral float-right" title="pair_style dpd command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_cs.html" class="btn btn-neutral" title="pair_style born/coul/long/cs command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_dpd.html b/doc/html/pair_dpd.html
index 1275469c41ab4677643fe4bbb7948b95c1c86f74..3bcfe1e91f418b61fa525c18f6e2c10002053ddd 100644
--- a/doc/html/pair_dpd.html
+++ b/doc/html/pair_dpd.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style dpd/fdt command" href="pair_dpd_fdt.html"/>
+ <link rel="prev" title="pair_style lj/cut/dipole/cut command" href="pair_dipole.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style dpd command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_dpd_fdt.html" class="btn btn-neutral float-right" title="pair_style dpd/fdt command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_dipole.html" class="btn btn-neutral" title="pair_style lj/cut/dipole/cut command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -235,7 +632,7 @@ random force.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -245,7 +642,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual for
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
@@ -312,6 +709,15 @@ Phys Comm, 230, 7191-7201 (2011).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_dpd_fdt.html" class="btn btn-neutral float-right" title="pair_style dpd/fdt command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_dipole.html" class="btn btn-neutral" title="pair_style lj/cut/dipole/cut command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_dpd_fdt.html b/doc/html/pair_dpd_fdt.html
index e6132b19d21616e417af8cecc2560ac43ef24b57..907cc658be1a6fef936ec1eb047c5610cb6eb14c 100644
--- a/doc/html/pair_dpd_fdt.html
+++ b/doc/html/pair_dpd_fdt.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style dsmc command" href="pair_dsmc.html"/>
+ <link rel="prev" title="pair_style dpd command" href="pair_dpd.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style dpd/fdt command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_dsmc.html" class="btn btn-neutral float-right" title="pair_style dsmc command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
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+ <a href="pair_dpd.html" class="btn btn-neutral" title="pair_style dpd command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -253,6 +650,15 @@ J. Chem. Phys., 135, 204105 (2011).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_dsmc.html" class="btn btn-neutral float-right" title="pair_style dsmc command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
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+
+ </div>
+
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diff --git a/doc/html/pair_dsmc.html b/doc/html/pair_dsmc.html
index 4c971f1dd1c3b7ea1964f943d39947d2c2aa5918..05ed6d388d167a357210226befaaf6dce55afb32 100644
--- a/doc/html/pair_dsmc.html
+++ b/doc/html/pair_dsmc.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style eam command" href="pair_eam.html"/>
+ <link rel="prev" title="pair_style dpd/fdt command" href="pair_dpd_fdt.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style dsmc command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bonds</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style dsmc command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_eam.html" class="btn btn-neutral float-right" title="pair_style eam command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
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+ <a href="pair_dpd_fdt.html" class="btn btn-neutral" title="pair_style dpd/fdt command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
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@@ -256,6 +653,15 @@ of Gas Flows” (1994).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_eam.html" class="btn btn-neutral float-right" title="pair_style eam command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
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+ <a href="pair_dpd_fdt.html" class="btn btn-neutral" title="pair_style dpd/fdt command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
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diff --git a/doc/html/pair_eam.html b/doc/html/pair_eam.html
index 62a0305a0cbd46c7b1ff95b3e89b2de71a41addf..134fe32b022e22e93530815e7cf9bf5a7ff840b9 100644
--- a/doc/html/pair_eam.html
+++ b/doc/html/pair_eam.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style edip command" href="pair_edip.html"/>
+ <link rel="prev" title="pair_style dsmc command" href="pair_dsmc.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
@@ -86,6 +90,388 @@
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
</ul>
+<p class="caption"><span class="caption-text">Index</span></p>
+<ul class="current">
+<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
+<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</a></li>
+<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_adp.html#pair-style-adp-omp-command">pair_style adp/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-omp-command">pair_style airebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-omp-command">pair_style airebo/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-omp-command">pair_style born/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-omp-command">pair_style born/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-omp-command">pair_style brownian/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-gpu-command">pair_style buck/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-omp-command">pair_style lj/charmm/coul/charmm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-gpu-command">pair_style lj/charmm/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-intel-command">pair_style lj/charmm/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-opt-command">pair_style lj/charmm/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-omp-command">pair_style lj/charmm/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-gpu-command">pair_style lj/class2/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-kk-command">pair_style lj/class2/coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-omp-command">pair_style lj/class2/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-kk-command">pair_style lj/class2/coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-omp-command">pair_style lj/class2/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb-omp-command">pair_style comb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-gpu-command">pair_style coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-omp-command">pair_style coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
+<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style eam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-cd-omp-command">pair_style eam/cd/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+</ul>
+</li>
+<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-omp-command">pair_style gran/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-gpu-command">pair_style lj/gromacs/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-omp-command">pair_style hybrid/overlay/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-omp-command">pair_style lubricate/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-gpu-command">pair_style morse/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html">pair_style nb3b/harmonic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-omp-command">pair_style peri/lps/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_quip.html">pair_style quip command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax.html">pair_style reax command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-omp-command">pair_style sw/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
+</ul>
+</li>
+<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
+<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
+</ul>
@@ -109,6 +495,8 @@
<ul class="wy-breadcrumbs">
<li><a href="Manual.html">Docs</a> »</li>
+ <li><a href="pairs.html">Pair Styles</a> »</li>
+
<li>pair_style eam command</li>
<li class="wy-breadcrumbs-aside">
@@ -120,6 +508,15 @@
</ul>
<hr/>
+ <div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_edip.html" class="btn btn-neutral float-right" title="pair_style edip command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_dsmc.html" class="btn btn-neutral" title="pair_style dsmc command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
@@ -493,7 +890,7 @@ are listed.</p>
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
-hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a>
+hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
@@ -503,7 +900,7 @@ LAMMPS was built with those packages. See the <a class="reference internal" hre
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
-<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accerlate</span></a> of the manual for more
+<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for more
instructions on how to use the accelerated styles effectively.</p>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
@@ -552,6 +949,15 @@ Materials Science & Engineering, 7, 075005 (2009).</p>
</div>
<footer>
+ <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
+
+ <a href="pair_edip.html" class="btn btn-neutral float-right" title="pair_style edip command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
+
+
+ <a href="pair_dsmc.html" class="btn btn-neutral" title="pair_style dsmc command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
+
+ </div>
+
<hr/>
diff --git a/doc/html/pair_edip.html b/doc/html/pair_edip.html
index 54a690dde17fbc8b920eef254162cafd32548b2f..c5b44916303a0fe9badc7e85983cb46d54c2593b 100644
--- a/doc/html/pair_edip.html
+++ b/doc/html/pair_edip.html
@@ -32,7 +32,10 @@
- <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="top" title="LAMMPS documentation" href="index.html"/>
+ <link rel="up" title="Pair Styles" href="pairs.html"/>
+ <link rel="next" title="pair_style eff/cut command" href="pair_eff.html"/>
+ <link rel="prev" title="pair_style eam command" href="pair_eam.html"/>
<script src="_static/js/modernizr.min.js"></script>
@@ -71,7 +74,8 @@
- <ul>
+ <p class="caption"><span class="caption-text">User Documentation</span></p>
+<ul>
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><